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

261
Patents

178.13577 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.14305 142.7
[M+Na]+ 201.12499 146.4
[M-H]- 177.12849 137.6
[M+NH4]+ 196.16959 167.8
[M+K]+ 217.09893 142.7
[M+H-H2O]+ 161.13303 138.3
[M+HCOO]- 223.13397 148.9
[M+CH3COO]- 237.14962 152.1
[M+Na-2H]- 199.11044 150.9
[M]+ 178.13522 141.8
[M]- 178.13632 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