CID 216422

94386-56-8

Structural Information

Molecular Formula
C13H19N
SMILES
CC1CCC2=C(C1)CCC(C2C)C#N
InChI
InChI=1S/C13H19N/c1-9-3-6-13-10(2)12(8-14)5-4-11(13)7-9/h9-10,12H,3-7H2,1-2H3
InChIKey
BEXBQPUACQKYNA-UHFFFAOYSA-N
Compound name
1,6-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.15175 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.159026 142.4
[M+Na]+ 212.140968 151.4
[M-H]- 188.144474 146.1
[M+NH4]+ 207.185573 161.7
[M+K]+ 228.114908 145.9
[M+H-H2O]+ 172.149010 131.0
[M+HCOO]- 234.149951 157.1
[M+CH3COO]- 248.165601 198.5
[M+Na-2H]- 210.126416 145.9
[M]+ 189.15120142 133.6
[M]- 189.15229858 133.6
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.