CID 7744486

2-amino-5-ethylbenzoic acid

Structural Information

Molecular Formula
C9H11NO2
SMILES
CCC1=CC(=C(C=C1)N)C(=O)O
InChI
InChI=1S/C9H11NO2/c1-2-6-3-4-8(10)7(5-6)9(11)12/h3-5H,2,10H2,1H3,(H,11,12)
InChIKey
IGDCBHSYVIAATO-UHFFFAOYSA-N
Compound name
2-amino-5-ethylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

165.07898 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 134.2
[M+Na]+ 188.06820 145.6
[M+NH4]+ 183.11280 141.9
[M+K]+ 204.04214 140.6
[M-H]- 164.07170 135.8
[M+Na-2H]- 186.05365 139.8
[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

No literature data available for this compound.

Patent stripe

patents stripe