CID 22598394

7-oxoazepane-2-carboxylic acid

Structural Information

Molecular Formula
C7H11NO3
SMILES
C1CCC(=O)NC(C1)C(=O)O
InChI
InChI=1S/C7H11NO3/c9-6-4-2-1-3-5(8-6)7(10)11/h5H,1-4H2,(H,8,9)(H,10,11)
InChIKey
PKCIDMQPMJHMGR-UHFFFAOYSA-N
Compound name
7-oxoazepane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

21
Patents

157.0739 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.08118 129.3
[M+Na]+ 180.06312 136.4
[M+NH4]+ 175.10772 135.0
[M+K]+ 196.03706 134.6
[M-H]- 156.06662 128.0
[M+Na-2H]- 178.04857 132.2
[M]+ 157.07335 129.5
[M]- 157.07445 129.5
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