CID 100955653

Methyl (2e)-2-cyano-3-methyl-2-pentenoate

Structural Information

Molecular Formula
C8H11NO2
SMILES
CC/C(=C(\C#N)/C(=O)OC)/C
InChI
InChI=1S/C8H11NO2/c1-4-6(2)7(5-9)8(10)11-3/h4H2,1-3H3/b7-6+
InChIKey
YFTKFYMUKUWANJ-VOTSOKGWSA-N
Compound name
methyl (E)-2-cyano-3-methylpent-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.07898 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.086256 133.4
[M+Na]+ 176.068198 141.8
[M-H]- 152.071704 134.4
[M+NH4]+ 171.112803 152.5
[M+K]+ 192.042138 141.7
[M+H-H2O]+ 136.076240 122.3
[M+HCOO]- 198.077181 151.4
[M+CH3COO]- 212.092831 190.4
[M+Na-2H]- 174.053646 136.0
[M]+ 153.07843142 129.8
[M]- 153.07952858 129.8
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.