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]+ 197.18999 151.7
[M+Na]+ 219.17193 158.1
[M-H]- 195.17543 153.0
[M+NH4]+ 214.21653 177.9
[M+K]+ 235.14587 155.1
[M+H-H2O]+ 179.17997 148.5
[M+HCOO]- 241.18091 169.2
[M+CH3COO]- 255.19656 185.6
[M+Na-2H]- 217.15738 152.1
[M]+ 196.18216 150.7
[M]- 196.18326 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.