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

16
Patents

123.06841 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.07569 121.2
[M+Na]+ 146.05763 136.6
[M-H]- 122.06113 128.0
[M+NH4]+ 141.10223 139.0
[M+K]+ 162.03157 132.0
[M+H-H2O]+ 106.06567 112.3
[M+HCOO]- 168.06661 142.9
[M+CH3COO]- 182.08226 189.0
[M+Na-2H]- 144.04308 128.3
[M]+ 123.06786 121.2
[M]- 123.06896 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