CID 44151492

Einecs 304-876-8

Structural Information

Molecular Formula
C13H24O
SMILES
CC(CC1C2CCC(C2)C1(C)C)CO
InChI
InChI=1S/C13H24O/c1-9(8-14)6-12-10-4-5-11(7-10)13(12,2)3/h9-12,14H,4-8H2,1-3H3
InChIKey
YOXKTNCHPWZYJH-UHFFFAOYSA-N
Compound name
3-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.18271 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.189986 151.7
[M+Na]+ 219.171928 158.1
[M-H]- 195.175434 153.0
[M+NH4]+ 214.216533 177.9
[M+K]+ 235.145868 155.1
[M+H-H2O]+ 179.179970 148.5
[M+HCOO]- 241.180911 169.2
[M+CH3COO]- 255.196561 185.6
[M+Na-2H]- 217.157376 152.1
[M]+ 196.18216142 150.7
[M]- 196.18325858 150.7
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.