CID 44150043

Einecs 306-753-4

Structural Information

Molecular Formula
C14H26O
SMILES
CCC(C)(C(C)CC1CC2CCC1C2)O
InChI
InChI=1S/C14H26O/c1-4-14(3,15)10(2)7-13-9-11-5-6-12(13)8-11/h10-13,15H,4-9H2,1-3H3
InChIKey
SPXVLDYYWKLTJU-UHFFFAOYSA-N
Compound name
1-(2-bicyclo[2.2.1]heptanyl)-2,3-dimethylpentan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.19836 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.205636 158.2
[M+Na]+ 233.187578 162.5
[M-H]- 209.191084 158.8
[M+NH4]+ 228.232183 181.6
[M+K]+ 249.161518 160.0
[M+H-H2O]+ 193.195620 154.4
[M+HCOO]- 255.196561 173.8
[M+CH3COO]- 269.212211 188.3
[M+Na-2H]- 231.173026 158.3
[M]+ 210.19781142 156.5
[M]- 210.19890858 156.5
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.