CID 43115673

3-(2-methylcyclopropyl)-3-oxopropanenitrile

Structural Information

Molecular Formula
C7H9NO
SMILES
CC1CC1C(=O)CC#N
InChI
InChI=1S/C7H9NO/c1-5-4-6(5)7(9)2-3-8/h5-6H,2,4H2,1H3
InChIKey
MPJRVMZFXQWABX-UHFFFAOYSA-N
Compound name
3-(2-methylcyclopropyl)-3-oxopropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

123.06841 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.075686 121.2
[M+Na]+ 146.057628 136.6
[M-H]- 122.061134 128.0
[M+NH4]+ 141.102233 139.0
[M+K]+ 162.031568 132.0
[M+H-H2O]+ 106.065670 112.3
[M+HCOO]- 168.066611 142.9
[M+CH3COO]- 182.082261 189.0
[M+Na-2H]- 144.043076 128.3
[M]+ 123.06786142 121.2
[M]- 123.06895858 121.2
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