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

146
Patents

109.052765 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.060041 119.5
[M+Na]+ 132.041983 135.4
[M-H]- 108.045489 126.6
[M+NH4]+ 127.086588 139.3
[M+K]+ 148.015923 131.2
[M+H-H2O]+ 92.050025 111.7
[M+HCOO]- 154.050966 141.3
[M+CH3COO]- 168.066616 185.1
[M+Na-2H]- 130.027431 128.5
[M]+ 109.05221642 119.3
[M]- 109.05331358 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