CID 38316

(4-allylaminophenyl)acetic acid

Structural Information

Molecular Formula
C11H13NO2
SMILES
C=CCNC1=CC=C(C=C1)CC(=O)O
InChI
InChI=1S/C11H13NO2/c1-2-7-12-10-5-3-9(4-6-10)8-11(13)14/h2-6,12H,1,7-8H2,(H,13,14)
InChIKey
ZYJSCNHWBVDMDN-UHFFFAOYSA-N
Compound name
2-[4-(prop-2-enylamino)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

191.09464 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 141.6
[M+Na]+ 214.083858 148.0
[M-H]- 190.087364 143.8
[M+NH4]+ 209.128463 160.1
[M+K]+ 230.057798 144.9
[M+H-H2O]+ 174.091900 135.5
[M+HCOO]- 236.092841 164.8
[M+CH3COO]- 250.108491 183.9
[M+Na-2H]- 212.069306 146.6
[M]+ 191.09409142 140.8
[M]- 191.09518858 140.8
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