CID 527217

Isointermedeol

Structural Information

Molecular Formula
C15H26O
SMILES
CC(=C)C1CCC2(CCCC(C2C1)(C)O)C
InChI
InChI=1S/C15H26O/c1-11(2)12-6-9-14(3)7-5-8-15(4,16)13(14)10-12/h12-13,16H,1,5-10H2,2-4H3
InChIKey
DPQYOKVMVCQHMY-UHFFFAOYSA-N
Compound name
1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

12
Patents

222.19836 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 154.8
[M+Na]+ 245.18758 159.4
[M-H]- 221.19108 156.8
[M+NH4]+ 240.23218 177.6
[M+K]+ 261.16152 156.3
[M+H-H2O]+ 205.19562 150.4
[M+HCOO]- 267.19656 167.8
[M+CH3COO]- 281.21221 189.7
[M+Na-2H]- 243.17303 157.1
[M]+ 222.19781 148.0
[M]- 222.19891 148.0
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