CID 380810

Ethyl 1-cyanocyclopropanecarboxylate

Structural Information

Molecular Formula
C7H9NO2
SMILES
CCOC(=O)C1(CC1)C#N
InChI
InChI=1S/C7H9NO2/c1-2-10-6(9)7(5-8)3-4-7/h2-4H2,1H3
InChIKey
FDZLCIITHLSEQK-UHFFFAOYSA-N
Compound name
ethyl 1-cyanocyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

419
Patents

139.06332 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.070596 126.4
[M+Na]+ 162.052538 142.0
[M-H]- 138.056044 133.3
[M+NH4]+ 157.097143 145.2
[M+K]+ 178.026478 137.9
[M+H-H2O]+ 122.060580 118.4
[M+HCOO]- 184.061521 148.0
[M+CH3COO]- 198.077171 188.8
[M+Na-2H]- 160.037986 134.9
[M]+ 139.06277142 127.8
[M]- 139.06386858 127.8
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