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]+ 110.096426 121.2
[M+Na]+ 132.078368 136.2
[M-H]- 108.081874 127.9
[M+NH4]+ 127.122973 139.5
[M+K]+ 148.052308 131.9
[M+H-H2O]+ 92.086410 112.6
[M+HCOO]- 154.087351 142.1
[M+CH3COO]- 168.103001 186.8
[M+Na-2H]- 130.063816 130.4
[M]+ 109.08860142 120.4
[M]- 109.08969858 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