CID 43170110

4-(2-cyclopropylacetamido)benzoic acid

Structural Information

Molecular Formula
C12H13NO3
SMILES
C1CC1CC(=O)NC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C12H13NO3/c14-11(7-8-1-2-8)13-10-5-3-9(4-6-10)12(15)16/h3-6,8H,1-2,7H2,(H,13,14)(H,15,16)
InChIKey
BWPKOJMRXGLQQD-UHFFFAOYSA-N
Compound name
4-[(2-cyclopropylacetyl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.08954 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.09682 149.5
[M+Na]+ 242.07876 161.1
[M+NH4]+ 237.12336 157.0
[M+K]+ 258.05270 157.7
[M-H]- 218.08226 158.4
[M+Na-2H]- 240.06421 157.6
[M]+ 219.08899 154.5
[M]- 219.09009 154.5
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.