CID 13227169

88326-52-7

Structural Information

Molecular Formula
C8H9NO2
SMILES
COC(=O)C1(CC=CC1)C#N
InChI
InChI=1S/C8H9NO2/c1-11-7(10)8(6-9)4-2-3-5-8/h2-3H,4-5H2,1H3
InChIKey
UWYXERHKKIHMGN-UHFFFAOYSA-N
Compound name
methyl 1-cyanocyclopent-3-ene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.06332 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 131.0
[M+Na]+ 174.05254 140.6
[M+NH4]+ 169.09714 136.8
[M+K]+ 190.02648 132.5
[M-H]- 150.05604 124.3
[M+Na-2H]- 172.03799 134.7
[M]+ 151.06277 129.5
[M]- 151.06387 129.5
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.