CID 84064238

2,2-dicyclobutylacetonitrile

Structural Information

Molecular Formula
C10H15N
SMILES
C1CC(C1)C(C#N)C2CCC2
InChI
InChI=1S/C10H15N/c11-7-10(8-3-1-4-8)9-5-2-6-9/h8-10H,1-6H2
InChIKey
FCDWEAAUGOOYOT-UHFFFAOYSA-N
Compound name
2,2-di(cyclobutyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.12045 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.12773 119.5
[M+Na]+ 172.10967 123.6
[M-H]- 148.11317 124.7
[M+NH4]+ 167.15427 126.5
[M+K]+ 188.08361 129.4
[M+H-H2O]+ 132.11771 100.4
[M+HCOO]- 194.11865 134.3
[M+CH3COO]- 208.13430 201.1
[M+Na-2H]- 170.09512 123.8
[M]+ 149.11990 127.0
[M]- 149.12100 127.0
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.