CID 255677

Dtxsid101248082

Structural Information

Molecular Formula
C9H8N2O2
SMILES
COC(=O)C(=CC1=CC=CN1)C#N
InChI
InChI=1S/C9H8N2O2/c1-13-9(12)7(6-10)5-8-3-2-4-11-8/h2-5,11H,1H3
InChIKey
WYRPCJJCKOHWCM-UHFFFAOYSA-N
Compound name
methyl 2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.05858 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06586 140.7
[M+Na]+ 199.04780 149.5
[M-H]- 175.05130 141.1
[M+NH4]+ 194.09240 158.1
[M+K]+ 215.02174 146.7
[M+H-H2O]+ 159.05584 127.4
[M+HCOO]- 221.05678 158.5
[M+CH3COO]- 235.07243 188.1
[M+Na-2H]- 197.03325 143.2
[M]+ 176.05803 134.7
[M]- 176.05913 134.7
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

No patent data available for this compound.