CID 103212

Sandalore

Structural Information

Molecular Formula
C14H26O
SMILES
CC1=CCC(C1(C)C)CCC(C)C(C)O
InChI
InChI=1S/C14H26O/c1-10(12(3)15)6-8-13-9-7-11(2)14(13,4)5/h7,10,12-13,15H,6,8-9H2,1-5H3
InChIKey
NGYMOTOXXHCHOC-UHFFFAOYSA-N
Compound name
3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-2-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

6
References

4605
Patents

210.19836 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.205636 152.8
[M+Na]+ 233.187578 158.9
[M-H]- 209.191084 154.9
[M+NH4]+ 228.232183 175.3
[M+K]+ 249.161518 156.8
[M+H-H2O]+ 193.195620 148.8
[M+HCOO]- 255.196561 171.7
[M+CH3COO]- 269.212211 189.8
[M+Na-2H]- 231.173026 152.1
[M]+ 210.19781142 153.1
[M]- 210.19890858 153.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe