CID 50741631

85567-33-5

Structural Information

Molecular Formula
C12H19N
SMILES
CC1(C2CCC(C2)C1CCC#N)C
InChI
InChI=1S/C12H19N/c1-12(2)10-6-5-9(8-10)11(12)4-3-7-13/h9-11H,3-6,8H2,1-2H3
InChIKey
FLEZSMIKDUKERR-UHFFFAOYSA-N
Compound name
3-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.15175 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.159026 143.0
[M+Na]+ 200.140968 154.0
[M-H]- 176.144474 146.1
[M+NH4]+ 195.185573 168.2
[M+K]+ 216.114908 147.4
[M+H-H2O]+ 160.149010 132.8
[M+HCOO]- 222.149951 160.4
[M+CH3COO]- 236.165601 195.6
[M+Na-2H]- 198.126416 146.0
[M]+ 177.15120142 138.2
[M]- 177.15229858 138.2
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.