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

2
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

literature stripe

Patent stripe

patents stripe