CID 344887

Ethyl 2-cyano-2-methylpropionate

Structural Information

Molecular Formula
C7H11NO2
SMILES
CCOC(=O)C(C)(C)C#N
InChI
InChI=1S/C7H11NO2/c1-4-10-6(9)7(2,3)5-8/h4H2,1-3H3
InChIKey
FYGRPGOHQCPZCV-UHFFFAOYSA-N
Compound name
ethyl 2-cyano-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

412
Patents

141.07898 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.08626 130.1
[M+Na]+ 164.06820 139.2
[M-H]- 140.07170 131.3
[M+NH4]+ 159.11280 149.9
[M+K]+ 180.04214 139.7
[M+H-H2O]+ 124.07624 119.5
[M+HCOO]- 186.07718 148.6
[M+CH3COO]- 200.09283 187.8
[M+Na-2H]- 162.05365 135.9
[M]+ 141.07843 127.6
[M]- 141.07953 127.6
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