CID 527220

Refchem:1051886

Structural Information

Molecular Formula
C15H26O
SMILES
CC(C)C1=CC2C(CCCC2(C)O)(CC1)C
InChI
InChI=1S/C15H26O/c1-11(2)12-6-9-14(3)7-5-8-15(4,16)13(14)10-12/h10-11,13,16H,5-9H2,1-4H3
InChIKey
PBGYWCDUYHJYFV-UHFFFAOYSA-N
Compound name
1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,8a-hexahydronaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

222.19836 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.205636 154.5
[M+Na]+ 245.187578 159.9
[M-H]- 221.191084 156.9
[M+NH4]+ 240.232183 177.4
[M+K]+ 261.161518 157.1
[M+H-H2O]+ 205.195620 149.9
[M+HCOO]- 267.196561 168.8
[M+CH3COO]- 281.212211 190.1
[M+Na-2H]- 243.173026 157.8
[M]+ 222.19781142 149.9
[M]- 222.19890858 149.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe