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
2
Annotation Hits

0
References

441
Patents

151.06332 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.070596 129.2
[M+Na]+ 174.052538 137.6
[M-H]- 150.056044 131.8
[M+NH4]+ 169.097143 149.5
[M+K]+ 190.026478 135.6
[M+H-H2O]+ 134.060580 124.0
[M+HCOO]- 196.061521 152.6
[M+CH3COO]- 210.077171 176.2
[M+Na-2H]- 172.037986 134.0
[M]+ 151.06277142 127.4
[M]- 151.06386858 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