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

6
Patents

189.15175 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.15903 143.6
[M+Na]+ 212.14097 152.9
[M-H]- 188.14447 147.4
[M+NH4]+ 207.18557 164.5
[M+K]+ 228.11491 146.8
[M+H-H2O]+ 172.14901 132.4
[M+HCOO]- 234.14995 158.3
[M+CH3COO]- 248.16560 197.1
[M+Na-2H]- 210.12642 148.5
[M]+ 189.15120 134.7
[M]- 189.15230 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