CID 79637

Cyclopropanecarbonitrile

Structural Information

Molecular Formula
C4H5N
SMILES
C1CC1C#N
InChI
InChI=1S/C4H5N/c5-3-4-1-2-4/h4H,1-2H2
InChIKey
AUQDITHEDVOTCU-UHFFFAOYSA-N
Compound name
cyclopropanecarbonitrile
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

10
References

7301
Patents

67.0422 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 68.049476 106.8
[M+Na]+ 90.031418 122.7
[M-H]- 66.034924 113.7
[M+NH4]+ 85.076023 126.5
[M+K]+ 106.00536 118.7
[M+H-H2O]+ 50.039460 98.2
[M+HCOO]- 112.04040 130.0
[M+CH3COO]- 126.05605 178.8
[M+Na-2H]- 88.016866 117.3
[M]+ 67.041651 105.6
[M]- 67.042749 105.6
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