CID 14046

Bucrylate

Structural Information

Molecular Formula
C8H11NO2
SMILES
CC(C)COC(=O)C(=C)C#N
InChI
InChI=1S/C8H11NO2/c1-6(2)5-11-8(10)7(3)4-9/h6H,3,5H2,1-2H3
InChIKey
QRWOVIRDHQJFDB-UHFFFAOYSA-N
Compound name
2-methylpropyl 2-cyanoprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

316
References

5111
Patents

153.07898 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.08626 133.1
[M+Na]+ 176.06820 141.4
[M-H]- 152.07170 134.0
[M+NH4]+ 171.11280 152.1
[M+K]+ 192.04214 141.3
[M+H-H2O]+ 136.07624 122.0
[M+HCOO]- 198.07718 151.1
[M+CH3COO]- 212.09283 191.0
[M+Na-2H]- 174.05365 135.7
[M]+ 153.07843 129.6
[M]- 153.07953 129.6
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.