CID 6365615

65198-02-9

Structural Information

Molecular Formula
C10H11NO2
SMILES
COC(=O)/C=C/C1=CC=C(C=C1)N
InChI
InChI=1S/C10H11NO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7H,11H2,1H3/b7-4+
InChIKey
HYVLKRMLVXUWQE-QPJJXVBHSA-N
Compound name
methyl (E)-3-(4-aminophenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

194
Patents

177.07898 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.086256 137.4
[M+Na]+ 200.068198 144.9
[M-H]- 176.071704 140.8
[M+NH4]+ 195.112803 157.2
[M+K]+ 216.042138 142.7
[M+H-H2O]+ 160.076240 131.5
[M+HCOO]- 222.077181 162.0
[M+CH3COO]- 236.092831 181.4
[M+Na-2H]- 198.053646 142.4
[M]+ 177.07843142 137.0
[M]- 177.07952858 137.0
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

patents stripe