CID 21087577

Schembl3120421

Structural Information

Molecular Formula
C14H26O
SMILES
CC1C(C2CCCC(C2C1(C)C)O)(C)C
InChI
InChI=1S/C14H26O/c1-9-13(2,3)10-7-6-8-11(15)12(10)14(9,4)5/h9-12,15H,6-8H2,1-5H3
InChIKey
ICTDGEDTDHVZDK-UHFFFAOYSA-N
Compound name
1,1,2,3,3-pentamethyl-3a,4,5,6,7,7a-hexahydro-2H-inden-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

210.19836 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.205636 149.3
[M+Na]+ 233.187578 157.2
[M-H]- 209.191084 152.5
[M+NH4]+ 228.232183 175.3
[M+K]+ 249.161518 153.9
[M+H-H2O]+ 193.195620 146.3
[M+HCOO]- 255.196561 165.6
[M+CH3COO]- 269.212211 188.6
[M+Na-2H]- 231.173026 151.1
[M]+ 210.19781142 146.5
[M]- 210.19890858 146.5
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