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]+ 211.20564 158.2
[M+Na]+ 233.18758 162.5
[M-H]- 209.19108 158.8
[M+NH4]+ 228.23218 181.6
[M+K]+ 249.16152 160.0
[M+H-H2O]+ 193.19562 154.4
[M+HCOO]- 255.19656 173.8
[M+CH3COO]- 269.21221 188.3
[M+Na-2H]- 231.17303 158.3
[M]+ 210.19781 156.5
[M]- 210.19891 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.