CID 61562688

4-cyclopropyl-3-oxobutanenitrile

Structural Information

Molecular Formula
C7H9NO
SMILES
C1CC1CC(=O)CC#N
InChI
InChI=1S/C7H9NO/c8-4-3-7(9)5-6-1-2-6/h6H,1-3,5H2
InChIKey
ROMUGNYSBLAWAK-UHFFFAOYSA-N
Compound name
4-cyclopropyl-3-oxobutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

123.06841 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.07569 127.0
[M+Na]+ 146.05763 138.3
[M+NH4]+ 141.10223 132.5
[M+K]+ 162.03157 131.5
[M-H]- 122.06113 127.2
[M+Na-2H]- 144.04308 132.1
[M]+ 123.06786 128.7
[M]- 123.06896 128.7
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