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

325
Patents

179.09464 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.101916 137.2
[M+Na]+ 202.083858 144.9
[M-H]- 178.087364 141.5
[M+NH4]+ 197.128463 157.3
[M+K]+ 218.057798 144.2
[M+H-H2O]+ 162.091900 131.5
[M+HCOO]- 224.092841 161.1
[M+CH3COO]- 238.108491 186.4
[M+Na-2H]- 200.069306 141.3
[M]+ 179.09409142 138.4
[M]- 179.09518858 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