CID 839394

40057-21-4

Structural Information

Molecular Formula
C11H11NO3
SMILES
C1CC1C(=O)NC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C11H11NO3/c13-10(7-5-6-7)12-9-4-2-1-3-8(9)11(14)15/h1-4,7H,5-6H2,(H,12,13)(H,14,15)
InChIKey
LTDDGJHJBNMJRK-UHFFFAOYSA-N
Compound name
2-(cyclopropanecarbonylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

205.0739 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08118 139.9
[M+Na]+ 228.06312 148.1
[M-H]- 204.06662 146.4
[M+NH4]+ 223.10772 153.1
[M+K]+ 244.03706 144.7
[M+H-H2O]+ 188.07116 133.6
[M+HCOO]- 250.07210 163.0
[M+CH3COO]- 264.08775 188.0
[M+Na-2H]- 226.04857 144.6
[M]+ 205.07335 141.3
[M]- 205.07445 141.3
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