CID 10606956

Ethyl 2-cyano-2-cyclopropylacetate

Structural Information

Molecular Formula
C8H11NO2
SMILES
CCOC(=O)C(C#N)C1CC1
InChI
InChI=1S/C8H11NO2/c1-2-11-8(10)7(5-9)6-3-4-6/h6-7H,2-4H2,1H3
InChIKey
FVJQEKBSGPOPLO-UHFFFAOYSA-N
Compound name
ethyl 2-cyano-2-cyclopropylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

88
Patents

153.07898 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.08626 129.3
[M+Na]+ 176.06820 143.5
[M-H]- 152.07170 135.6
[M+NH4]+ 171.11280 145.8
[M+K]+ 192.04214 139.2
[M+H-H2O]+ 136.07624 120.0
[M+HCOO]- 198.07718 150.2
[M+CH3COO]- 212.09283 192.5
[M+Na-2H]- 174.05365 135.4
[M]+ 153.07843 130.0
[M]- 153.07953 130.0
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