CID 316890

2-methylcyclopropane-1-carbonitrile

Structural Information

Molecular Formula
C5H7N
SMILES
CC1CC1C#N
InChI
InChI=1S/C5H7N/c1-4-2-5(4)3-6/h4-5H,2H2,1H3
InChIKey
MWIZMXFPLVYCEB-UHFFFAOYSA-N
Compound name
2-methylcyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

81.057846 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 82.065122 109.9
[M+Na]+ 104.047064 126.2
[M-H]- 80.050570 117.0
[M+NH4]+ 99.091669 129.4
[M+K]+ 120.021004 122.0
[M+H-H2O]+ 64.055106 101.4
[M+HCOO]- 126.056047 132.8
[M+CH3COO]- 140.071697 182.3
[M+Na-2H]- 102.032512 119.3
[M]+ 81.05729742 109.3
[M]- 81.05839458 109.3
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