CID 44145324

78904-51-5

Structural Information

Molecular Formula
C12H19N
SMILES
CC1=CCC(C1(C)C)CCCC#N
InChI
InChI=1S/C12H19N/c1-10-7-8-11(12(10,2)3)6-4-5-9-13/h7,11H,4-6,8H2,1-3H3
InChIKey
KYXOHLIIGUCRFA-UHFFFAOYSA-N
Compound name
4-(2,2,3-trimethylcyclopent-3-en-1-yl)butanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.15175 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.159026 139.4
[M+Na]+ 200.140968 149.9
[M-H]- 176.144474 143.2
[M+NH4]+ 195.185573 161.8
[M+K]+ 216.114908 145.8
[M+H-H2O]+ 160.149010 128.6
[M+HCOO]- 222.149951 159.1
[M+CH3COO]- 236.165601 196.0
[M+Na-2H]- 198.126416 143.0
[M]+ 177.15120142 135.9
[M]- 177.15229858 135.9
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.