CID 257788

Azepane-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C7H13NO2
SMILES
C1CCC(NCC1)C(=O)O
InChI
InChI=1S/C7H13NO2/c9-7(10)6-4-2-1-3-5-8-6/h6,8H,1-5H2,(H,9,10)
InChIKey
OPFURXRZISKMJV-UHFFFAOYSA-N
Compound name
azepane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

530
Patents

143.09464 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 126.1
[M+Na]+ 166.08386 128.5
[M-H]- 142.08736 126.0
[M+NH4]+ 161.12846 143.0
[M+K]+ 182.05780 131.5
[M+H-H2O]+ 126.09190 120.4
[M+HCOO]- 188.09284 141.8
[M+CH3COO]- 202.10849 170.4
[M+Na-2H]- 164.06931 130.1
[M]+ 143.09409 116.5
[M]- 143.09519 116.5
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