CID 14789762

2-(3,3-dimethylcyclobutyl)acetonitrile

Structural Information

Molecular Formula
C8H13N
SMILES
CC1(CC(C1)CC#N)C
InChI
InChI=1S/C8H13N/c1-8(2)5-7(6-8)3-4-9/h7H,3,5-6H2,1-2H3
InChIKey
CILLCBIISHUFGI-UHFFFAOYSA-N
Compound name
2-(3,3-dimethylcyclobutyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

123.1048 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.112076 120.6
[M+Na]+ 146.094018 129.4
[M-H]- 122.097524 125.0
[M+NH4]+ 141.138623 137.3
[M+K]+ 162.067958 131.4
[M+H-H2O]+ 106.102060 106.8
[M+HCOO]- 168.103001 139.3
[M+CH3COO]- 182.118651 189.3
[M+Na-2H]- 144.079466 127.4
[M]+ 123.10425142 123.8
[M]- 123.10534858 123.8
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

No patent data available for this compound.