CID 66642

2-(ethylamino)benzoic acid

Structural Information

Molecular Formula
C9H11NO2
SMILES
CCNC1=CC=CC=C1C(=O)O
InChI
InChI=1S/C9H11NO2/c1-2-10-8-6-4-3-5-7(8)9(11)12/h3-6,10H,2H2,1H3,(H,11,12)
InChIKey
SPEGUNZOHLFGCL-UHFFFAOYSA-N
Compound name
2-(ethylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

1353
Patents

165.07898 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 134.4
[M+Na]+ 188.06820 145.7
[M+NH4]+ 183.11280 142.3
[M+K]+ 204.04214 140.3
[M-H]- 164.07170 136.2
[M+Na-2H]- 186.05365 140.7
[M]+ 165.07843 136.3
[M]- 165.07953 136.3
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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