CID 11959005

4-(dimethylamino)-3-methylbenzoic acid

Structural Information

Molecular Formula
C10H13NO2
SMILES
CC1=C(C=CC(=C1)C(=O)O)N(C)C
InChI
InChI=1S/C10H13NO2/c1-7-6-8(10(12)13)4-5-9(7)11(2)3/h4-6H,1-3H3,(H,12,13)
InChIKey
IQXJWOLTFBRYOK-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-3-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

179.09464 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.10192 137.2
[M+Na]+ 202.08386 144.9
[M-H]- 178.08736 141.5
[M+NH4]+ 197.12846 157.3
[M+K]+ 218.05780 144.2
[M+H-H2O]+ 162.09190 131.5
[M+HCOO]- 224.09284 161.1
[M+CH3COO]- 238.10849 186.4
[M+Na-2H]- 200.06931 141.3
[M]+ 179.09409 138.4
[M]- 179.09519 138.4
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