CID 678476

Methyl 2-cyano-3-(4-methoxyphenyl)acrylate

Structural Information

Molecular Formula
C12H11NO3
SMILES
COC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OC
InChI
InChI=1S/C12H11NO3/c1-15-11-5-3-9(4-6-11)7-10(8-13)12(14)16-2/h3-7H,1-2H3/b10-7+
InChIKey
MCFCPVVFVXSZSK-JXMROGBWSA-N
Compound name
methyl (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

217.0739 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.081176 149.0
[M+Na]+ 240.063118 158.2
[M-H]- 216.066624 152.2
[M+NH4]+ 235.107723 165.6
[M+K]+ 256.037058 155.7
[M+H-H2O]+ 200.071160 136.3
[M+HCOO]- 262.072101 168.1
[M+CH3COO]- 276.087751 199.0
[M+Na-2H]- 238.048566 152.1
[M]+ 217.07335142 146.4
[M]- 217.07444858 146.4
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