CID 11840904

(1s)-2-[(2s,5r)-2-(aminomethyl)-5-prop-1-yn-1-ylpyrrolidin-1-yl]-1-cyclopentyl-2-oxoethanamine

Structural Information

Molecular Formula
C15H25N3O
SMILES
CC#C[C@H]1CC[C@H](N1C(=O)[C@H](C2CCCC2)N)CN
InChI
InChI=1S/C15H25N3O/c1-2-5-12-8-9-13(10-16)18(12)15(19)14(17)11-6-3-4-7-11/h11-14H,3-4,6-10,16-17H2,1H3/t12-,13-,14-/m0/s1
InChIKey
RIKCMKYTGBHVSX-IHRRRGAJSA-N
Compound name
(2S)-2-amino-1-[(2S,5R)-2-(aminomethyl)-5-prop-1-ynylpyrrolidin-1-yl]-2-cyclopentylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

263.19977 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.20705 168.4
[M+Na]+ 286.18899 173.3
[M-H]- 262.19249 169.6
[M+NH4]+ 281.23359 183.5
[M+K]+ 302.16293 168.1
[M+H-H2O]+ 246.19703 154.4
[M+HCOO]- 308.19797 180.6
[M+CH3COO]- 322.21362 206.4
[M+Na-2H]- 284.17444 162.1
[M]+ 263.19922 155.4
[M]- 263.20032 155.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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