CID 180122

Tricyclo[3.3.1.13,7]decan-2-ol, 4-methyl-8-methylene-

Structural Information

Molecular Formula
C12H18O
SMILES
CC1C2CC3CC1C(C(C2)C3=C)O
InChI
InChI=1S/C12H18O/c1-6-8-3-9-5-10(6)12(13)11(4-8)7(9)2/h7-13H,1,3-5H2,2H3
InChIKey
REINJUBMDBESCN-UHFFFAOYSA-N
Compound name
4-methyl-8-methylideneadamantan-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

285
Patents

178.13577 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.143046 142.7
[M+Na]+ 201.124988 146.4
[M-H]- 177.128494 137.6
[M+NH4]+ 196.169593 167.8
[M+K]+ 217.098928 142.7
[M+H-H2O]+ 161.133030 138.3
[M+HCOO]- 223.133971 148.9
[M+CH3COO]- 237.149621 152.1
[M+Na-2H]- 199.110436 150.9
[M]+ 178.13522142 141.8
[M]- 178.13631858 141.8
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