CID 115830

64394-19-0

Structural Information

Molecular Formula
C15H26O
SMILES
CC1(CC(C2C3CCCCC3C2(C1)C)O)C
InChI
InChI=1S/C15H26O/c1-14(2)8-12(16)13-10-6-4-5-7-11(10)15(13,3)9-14/h10-13,16H,4-9H2,1-3H3
InChIKey
DGSPVRDUQBYTCW-UHFFFAOYSA-N
Compound name
3,3,4a-trimethyl-1,2,4,4b,5,6,7,8,8a,8b-decahydrobiphenylen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.19836 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 154.1
[M+Na]+ 245.18758 159.3
[M-H]- 221.19108 157.5
[M+NH4]+ 240.23218 171.8
[M+K]+ 261.16152 158.5
[M+H-H2O]+ 205.19562 145.4
[M+HCOO]- 267.19656 166.1
[M+CH3COO]- 281.21221 193.7
[M+Na-2H]- 243.17303 157.9
[M]+ 222.19781 157.6
[M]- 222.19891 157.6
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

patents stripe