CID 130037140

2-acetylcyclopropane-1-carbonitrile

Structural Information

Molecular Formula
C6H7NO
SMILES
CC(=O)C1CC1C#N
InChI
InChI=1S/C6H7NO/c1-4(8)6-2-5(6)3-7/h5-6H,2H2,1H3
InChIKey
XZVBXESTSCGHAN-UHFFFAOYSA-N
Compound name
2-acetylcyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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 117.4
[M+Na]+ 132.041983 133.3
[M-H]- 108.045489 124.4
[M+NH4]+ 127.086588 135.7
[M+K]+ 148.015923 128.9
[M+H-H2O]+ 92.050025 108.7
[M+HCOO]- 154.050966 139.5
[M+CH3COO]- 168.066616 186.5
[M+Na-2H]- 130.027431 125.0
[M]+ 109.05221642 117.2
[M]- 109.05331358 117.2
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