CID 711483

O-mpcpa

Structural Information

Molecular Formula
C11H10N2O2
SMILES
COC1=CC=CC=C1/C=C(\C#N)/C(=O)N
InChI
InChI=1S/C11H10N2O2/c1-15-10-5-3-2-4-8(10)6-9(7-12)11(13)14/h2-6H,1H3,(H2,13,14)/b9-6+
InChIKey
KBGJTYDNFFSISF-RMKNXTFCSA-N
Compound name
(E)-2-cyano-3-(2-methoxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

202.07423 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.08151 148.6
[M+Na]+ 225.06345 157.3
[M-H]- 201.06695 151.3
[M+NH4]+ 220.10805 165.1
[M+K]+ 241.03739 154.4
[M+H-H2O]+ 185.07149 135.8
[M+HCOO]- 247.07243 168.1
[M+CH3COO]- 261.08808 198.9
[M+Na-2H]- 223.04890 151.1
[M]+ 202.07368 142.8
[M]- 202.07478 142.8
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