CID 6453764

Octahydro-7a,8,8-trimethyl-1,5-methano-1h-inden-1-ol

Structural Information

Molecular Formula
C13H22O
SMILES
CC1(C2CCC3(C1(CCC3C2)O)C)C
InChI
InChI=1S/C13H22O/c1-11(2)9-4-6-12(3)10(8-9)5-7-13(11,12)14/h9-10,14H,4-8H2,1-3H3
InChIKey
CMXNZZUTVVYBLJ-UHFFFAOYSA-N
Compound name
2,2,7-trimethyltricyclo[4.3.1.03,7]decan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

194.16707 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.174346 146.9
[M+Na]+ 217.156288 153.6
[M-H]- 193.159794 145.2
[M+NH4]+ 212.200893 178.2
[M+K]+ 233.130228 148.9
[M+H-H2O]+ 177.164330 142.2
[M+HCOO]- 239.165271 156.6
[M+CH3COO]- 253.180921 158.0
[M+Na-2H]- 215.141736 155.6
[M]+ 194.16652142 146.8
[M]- 194.16761858 146.8
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