CID 166374

72928-51-9

Structural Information

Molecular Formula
C13H19N
SMILES
CC1(CCCC2=C1CC(CC2)C#N)C
InChI
InChI=1S/C13H19N/c1-13(2)7-3-4-11-6-5-10(9-14)8-12(11)13/h10H,3-8H2,1-2H3
InChIKey
GYSKLORPARLOKC-UHFFFAOYSA-N
Compound name
8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

189.15175 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.159026 143.6
[M+Na]+ 212.140968 152.9
[M-H]- 188.144474 147.4
[M+NH4]+ 207.185573 164.5
[M+K]+ 228.114908 146.8
[M+H-H2O]+ 172.149010 132.4
[M+HCOO]- 234.149951 158.3
[M+CH3COO]- 248.165601 197.1
[M+Na-2H]- 210.126416 148.5
[M]+ 189.15120142 134.7
[M]- 189.15229858 134.7
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

patents stripe