CID 9812763

3-cyclopropyl-3-oxopropanenitrile

Structural Information

Molecular Formula
C6H7NO
SMILES
C1CC1C(=O)CC#N
InChI
InChI=1S/C6H7NO/c7-4-3-6(8)5-1-2-5/h5H,1-3H2
InChIKey
SDARMQNRQJBGQE-UHFFFAOYSA-N
Compound name
3-cyclopropyl-3-oxopropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

496
Patents

109.052765 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.06004 118.2
[M+Na]+ 132.04198 133.3
[M-H]- 108.04549 124.8
[M+NH4]+ 127.08659 136.2
[M+K]+ 148.01592 128.9
[M+H-H2O]+ 92.050025 109.2
[M+HCOO]- 154.05097 140.3
[M+CH3COO]- 168.06662 185.5
[M+Na-2H]- 130.02743 126.4
[M]+ 109.05222 117.6
[M]- 109.05331 117.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe