CID 11959004

4-(dimethylamino)-2-methylbenzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

371
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

No literature data available for this compound.

Patent stripe

patents stripe