CID 53427081

Dtxsid901170162

Structural Information

Molecular Formula
C15H26O
SMILES
CC(CC=C1C2CCC(C2)C1(C)C)C(C)O
InChI
InChI=1S/C15H26O/c1-10(11(2)16)5-8-14-12-6-7-13(9-12)15(14,3)4/h8,10-13,16H,5-7,9H2,1-4H3
InChIKey
KGFHMTBDEFERCZ-UHFFFAOYSA-N
Compound name
5-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)-3-methylpentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.19836 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.205636 160.4
[M+Na]+ 245.187578 166.0
[M-H]- 221.191084 161.5
[M+NH4]+ 240.232183 185.5
[M+K]+ 261.161518 162.5
[M+H-H2O]+ 205.195620 157.2
[M+HCOO]- 267.196561 176.4
[M+CH3COO]- 281.212211 190.9
[M+Na-2H]- 243.173026 158.6
[M]+ 222.19781142 158.7
[M]- 222.19890858 158.7
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

No patent data available for this compound.