CID 63166621

1807938-67-5

Structural Information

Molecular Formula
C12H25N3O
SMILES
CC(C)C[C@@H](C(=O)N1CCC(C1)N(C)C)N
InChI
InChI=1S/C12H25N3O/c1-9(2)7-11(13)12(16)15-6-5-10(8-15)14(3)4/h9-11H,5-8,13H2,1-4H3/t10?,11-/m0/s1
InChIKey
VJWQHOQVGHCDCY-DTIOYNMSSA-N
Compound name
(2S)-2-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]-4-methylpentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.19977 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.20705 159.3
[M+Na]+ 250.18899 162.1
[M-H]- 226.19249 161.6
[M+NH4]+ 245.23359 177.4
[M+K]+ 266.16293 162.5
[M+H-H2O]+ 210.19703 151.8
[M+HCOO]- 272.19797 178.6
[M+CH3COO]- 286.21362 200.7
[M+Na-2H]- 248.17444 156.1
[M]+ 227.19922 156.4
[M]- 227.20032 156.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.