CID 146808

94201-17-9

Structural Information

Molecular Formula
C15H26O
SMILES
CC1CCC=C2C1(CC(CC2)C(C)(C)O)C
InChI
InChI=1S/C15H26O/c1-11-6-5-7-12-8-9-13(14(2,3)16)10-15(11,12)4/h7,11,13,16H,5-6,8-10H2,1-4H3
InChIKey
MQWIFDHBNGIVPO-UHFFFAOYSA-N
Compound name
2-(8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

271
Patents

222.19836 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 154.9
[M+Na]+ 245.18758 160.0
[M-H]- 221.19108 157.2
[M+NH4]+ 240.23218 176.0
[M+K]+ 261.16152 157.0
[M+H-H2O]+ 205.19562 150.3
[M+HCOO]- 267.19656 168.7
[M+CH3COO]- 281.21221 189.9
[M+Na-2H]- 243.17303 159.2
[M]+ 222.19781 150.2
[M]- 222.19891 150.2
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