CID 83984

2-[(3-aminophenyl)methylidene]butanoic acid

Structural Information

Molecular Formula
C11H13NO2
SMILES
CCC(=CC1=CC(=CC=C1)N)C(=O)O
InChI
InChI=1S/C11H13NO2/c1-2-9(11(13)14)6-8-4-3-5-10(12)7-8/h3-7H,2,12H2,1H3,(H,13,14)
InChIKey
DHELLYXEESJYNP-UHFFFAOYSA-N
Compound name
2-[(3-aminophenyl)methylidene]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

191.09464 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 142.8
[M+Na]+ 214.083858 149.1
[M-H]- 190.087364 144.6
[M+NH4]+ 209.128463 161.1
[M+K]+ 230.057798 146.2
[M+H-H2O]+ 174.091900 137.0
[M+HCOO]- 236.092841 164.5
[M+CH3COO]- 250.108491 183.5
[M+Na-2H]- 212.069306 145.4
[M]+ 191.09409142 140.3
[M]- 191.09518858 140.3
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