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

59
Patents

109.08915 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.096426 117.8
[M+Na]+ 132.078368 124.8
[M-H]- 108.081874 121.4
[M+NH4]+ 127.122973 132.7
[M+K]+ 148.052308 127.9
[M+H-H2O]+ 92.086410 102.5
[M+HCOO]- 154.087351 135.7
[M+CH3COO]- 168.103001 186.9
[M+Na-2H]- 130.063816 123.4
[M]+ 109.08860142 119.3
[M]- 109.08969858 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