CID 446676

3-amino-azacyclotridecan-2-one

Structural Information

Molecular Formula
C12H24N2O
SMILES
C1CCCCCNC(=O)[C@H](CCCC1)N
InChI
InChI=1S/C12H24N2O/c13-11-9-7-5-3-1-2-4-6-8-10-14-12(11)15/h11H,1-10,13H2,(H,14,15)/t11-/m0/s1
InChIKey
CQZLEYBEPASILI-NSHDSACASA-N
Compound name
(3S)-3-amino-azacyclotridecan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

212.18886 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.19614 151.6
[M+Na]+ 235.17808 153.2
[M-H]- 211.18158 148.6
[M+NH4]+ 230.22268 164.4
[M+K]+ 251.15202 151.1
[M+H-H2O]+ 195.18612 147.7
[M+HCOO]- 257.18706 165.6
[M+CH3COO]- 271.20271 179.2
[M+Na-2H]- 233.16353 151.6
[M]+ 212.18831 136.7
[M]- 212.18941 136.7
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.