CID 67069

2-(methylamino)benzoic acid

Structural Information

Molecular Formula
C8H9NO2
SMILES
CNC1=CC=CC=C1C(=O)O
InChI
InChI=1S/C8H9NO2/c1-9-7-5-3-2-4-6(7)8(10)11/h2-5,9H,1H3,(H,10,11)
InChIKey
WVMBPWMAQDVZCM-UHFFFAOYSA-N
Compound name
2-(methylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

34
References

6084
Patents

151.06332 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.070596 129.0
[M+Na]+ 174.052538 136.5
[M-H]- 150.056044 131.7
[M+NH4]+ 169.097143 149.3
[M+K]+ 190.026478 134.7
[M+H-H2O]+ 134.060580 123.5
[M+HCOO]- 196.061521 153.1
[M+CH3COO]- 210.077171 175.6
[M+Na-2H]- 172.037986 135.6
[M]+ 151.06277142 127.8
[M]- 151.06386858 127.8
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