CID 66837

3-(dimethylamino)benzoic acid

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

11
References

4076
Patents

165.07898 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 134.1
[M+Na]+ 188.06820 145.6
[M+NH4]+ 183.11280 142.2
[M+K]+ 204.04214 140.7
[M-H]- 164.07170 136.2
[M+Na-2H]- 186.05365 140.6
[M]+ 165.07843 136.1
[M]- 165.07953 136.1
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

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