CID 10374614

5-amino-2-methylbenzoic acid

Structural Information

Molecular Formula
C8H9NO2
SMILES
CC1=C(C=C(C=C1)N)C(=O)O
InChI
InChI=1S/C8H9NO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,9H2,1H3,(H,10,11)
InChIKey
FSXVZWAWYKMFMX-UHFFFAOYSA-N
Compound name
5-amino-2-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

438
Patents

151.06332 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 129.2
[M+Na]+ 174.05254 137.6
[M-H]- 150.05604 131.8
[M+NH4]+ 169.09714 149.5
[M+K]+ 190.02648 135.6
[M+H-H2O]+ 134.06058 124.0
[M+HCOO]- 196.06152 152.6
[M+CH3COO]- 210.07717 176.2
[M+Na-2H]- 172.03799 134.0
[M]+ 151.06277 127.4
[M]- 151.06387 127.4
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

patents stripe