CID 71596600

[(3as,7as)-3,3,4,4,7a-pentamethyl-1,2,3a,7-tetrahydroinden-2-yl]methanol

Structural Information

Molecular Formula
C15H26O
SMILES
C[C@@]12CC=CC([C@H]1C(C(C2)CO)(C)C)(C)C
InChI
InChI=1S/C15H26O/c1-13(2)7-6-8-15(5)9-11(10-16)14(3,4)12(13)15/h6-7,11-12,16H,8-10H2,1-5H3/t11?,12-,15-/m0/s1
InChIKey
FZXLNBSTYCEHDA-LBBQAWJBSA-N
Compound name
[(3aS,7aS)-3,3,4,4,7a-pentamethyl-1,2,3a,7-tetrahydroinden-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.19836 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 150.9
[M+Na]+ 245.18758 159.5
[M-H]- 221.19108 154.4
[M+NH4]+ 240.23218 178.2
[M+K]+ 261.16152 156.0
[M+H-H2O]+ 205.19562 148.0
[M+HCOO]- 267.19656 168.4
[M+CH3COO]- 281.21221 189.9
[M+Na-2H]- 243.17303 155.0
[M]+ 222.19781 150.0
[M]- 222.19891 150.0
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

No patent data available for this compound.