CID 174183

4,7-methano-1h-inden-5-ol, 3a,4,5,6,7,7a-hexahydrodimethyl-

Structural Information

Molecular Formula
C12H18O
SMILES
CC1C2C3CC(C2C=C1C)C(C3)O
InChI
InChI=1S/C12H18O/c1-6-3-10-9-4-8(5-11(9)13)12(10)7(6)2/h3,7-13H,4-5H2,1-2H3
InChIKey
WJYPOGJOWNDSPL-UHFFFAOYSA-N
Compound name
3,4-dimethyltricyclo[5.2.1.02,6]dec-4-en-8-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3
Patents

178.13577 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.143046 144.1
[M+Na]+ 201.124988 153.1
[M-H]- 177.128494 147.5
[M+NH4]+ 196.169593 172.2
[M+K]+ 217.098928 149.6
[M+H-H2O]+ 161.133030 141.8
[M+HCOO]- 223.133971 163.6
[M+CH3COO]- 237.149621 157.8
[M+Na-2H]- 199.110436 144.0
[M]+ 178.13522142 143.7
[M]- 178.13631858 143.7
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