CID 283841

3-(methylamino)benzoic acid

Structural Information

Molecular Formula
C8H9NO2
SMILES
CNC1=CC=CC(=C1)C(=O)O
InChI
InChI=1S/C8H9NO2/c1-9-7-4-2-3-6(5-7)8(10)11/h2-5,9H,1H3,(H,10,11)
InChIKey
ZCCNWBPFIBQFQX-UHFFFAOYSA-N
Compound name
3-(methylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

698
Patents

151.06332 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 129.9
[M+Na]+ 174.05254 141.4
[M+NH4]+ 169.09714 137.9
[M+K]+ 190.02648 136.2
[M-H]- 150.05604 131.7
[M+Na-2H]- 172.03799 136.4
[M]+ 151.06277 131.8
[M]- 151.06387 131.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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