CID 23574312

2-cyclopropyl-2-methylpropanenitrile

Structural Information

Molecular Formula
C7H11N
SMILES
CC(C)(C#N)C1CC1
InChI
InChI=1S/C7H11N/c1-7(2,5-8)6-3-4-6/h6H,3-4H2,1-2H3
InChIKey
MVOFYFBLGIYYNJ-UHFFFAOYSA-N
Compound name
2-cyclopropyl-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

109.08915 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.09643 121.2
[M+Na]+ 132.07837 136.2
[M-H]- 108.08187 127.9
[M+NH4]+ 127.12297 139.5
[M+K]+ 148.05231 131.9
[M+H-H2O]+ 92.086410 112.6
[M+HCOO]- 154.08735 142.1
[M+CH3COO]- 168.10300 186.8
[M+Na-2H]- 130.06382 130.4
[M]+ 109.08860 120.4
[M]- 109.08970 120.4
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