CID 53627718

2-cyclobutylpropanenitrile

Structural Information

Molecular Formula
C7H11N
SMILES
CC(C#N)C1CCC1
InChI
InChI=1S/C7H11N/c1-6(5-8)7-3-2-4-7/h6-7H,2-4H2,1H3
InChIKey
NVZWRBQRSDRIGC-UHFFFAOYSA-N
Compound name
2-cyclobutylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

109.08915 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.09643 117.8
[M+Na]+ 132.07837 124.8
[M-H]- 108.08187 121.4
[M+NH4]+ 127.12297 132.7
[M+K]+ 148.05231 127.9
[M+H-H2O]+ 92.086410 102.5
[M+HCOO]- 154.08735 135.7
[M+CH3COO]- 168.10300 186.9
[M+Na-2H]- 130.06382 123.4
[M]+ 109.08860 119.3
[M]- 109.08970 119.3
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