CID 23646031

(2s)-2-amino-2-cyclohexyl-1-(pyrrolidin-1-yl)ethan-1-one

Structural Information

Molecular Formula
C12H22N2O
SMILES
C1CCC(CC1)[C@@H](C(=O)N2CCCC2)N
InChI
InChI=1S/C12H22N2O/c13-11(10-6-2-1-3-7-10)12(15)14-8-4-5-9-14/h10-11H,1-9,13H2/t11-/m0/s1
InChIKey
RWNSISJNBAQNTF-NSHDSACASA-N
Compound name
(2S)-2-amino-2-cyclohexyl-1-pyrrolidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

6
Patents

210.17322 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.18050 152.8
[M+Na]+ 233.16244 153.8
[M-H]- 209.16594 155.6
[M+NH4]+ 228.20704 170.3
[M+K]+ 249.13638 152.1
[M+H-H2O]+ 193.17048 144.8
[M+HCOO]- 255.17142 168.7
[M+CH3COO]- 269.18707 186.8
[M+Na-2H]- 231.14789 151.2
[M]+ 210.17267 142.8
[M]- 210.17377 142.8
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

patents stripe