CID 6957

Phthalamic acid

Structural Information

Molecular Formula
C8H7NO3
SMILES
C1=CC=C(C(=C1)C(=O)N)C(=O)O
InChI
InChI=1S/C8H7NO3/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H2,9,10)(H,11,12)
InChIKey
CYMRPDYINXWJFU-UHFFFAOYSA-N
Compound name
2-carbamoylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

12
References

4692
Patents

165.04259 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.04987 132.5
[M+Na]+ 188.03181 142.9
[M+NH4]+ 183.07641 139.4
[M+K]+ 204.00575 139.3
[M-H]- 164.03531 133.1
[M+Na-2H]- 186.01726 137.6
[M]+ 165.04204 133.8
[M]- 165.04314 133.8
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