CID 12092

4-dimethylaminobenzoic acid

Structural Information

Molecular Formula
C9H11NO2
SMILES
CN(C)C1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C9H11NO2/c1-10(2)8-5-3-7(4-6-8)9(11)12/h3-6H,1-2H3,(H,11,12)
InChIKey
YDIYEOMDOWUDTJ-UHFFFAOYSA-N
Compound name
4-(dimethylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

50
References

23338
Patents

165.07898 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 133.2
[M+Na]+ 188.06820 140.4
[M-H]- 164.07170 137.3
[M+NH4]+ 183.11280 153.6
[M+K]+ 204.04214 139.9
[M+H-H2O]+ 148.07624 127.4
[M+HCOO]- 210.07718 157.5
[M+CH3COO]- 224.09283 182.2
[M+Na-2H]- 186.05365 138.6
[M]+ 165.07843 133.7
[M]- 165.07953 133.7
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