CID 15178986

1-acetylcyclopropane-1-carbonitrile

Structural Information

Molecular Formula
C6H7NO
SMILES
CC(=O)C1(CC1)C#N
InChI
InChI=1S/C6H7NO/c1-5(8)6(4-7)2-3-6/h2-3H2,1H3
InChIKey
FYHTVDJPKASMMU-UHFFFAOYSA-N
Compound name
1-acetylcyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

143
Patents

109.052765 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.06004 119.5
[M+Na]+ 132.04198 135.4
[M-H]- 108.04549 126.6
[M+NH4]+ 127.08659 139.3
[M+K]+ 148.01592 131.2
[M+H-H2O]+ 92.050025 111.7
[M+HCOO]- 154.05097 141.3
[M+CH3COO]- 168.06662 185.1
[M+Na-2H]- 130.02743 128.5
[M]+ 109.05222 119.3
[M]- 109.05331 119.3
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

patents stripe