CID 86113

Bicyclo(2.2.1)heptane-2-methanol, 5,6-dimethyl-1-(1-methylethyl)-

Structural Information

Molecular Formula
C13H24O
SMILES
CC1C(C2(CC1CC2CO)C(C)C)C
InChI
InChI=1S/C13H24O/c1-8(2)13-6-11(5-12(13)7-14)9(3)10(13)4/h8-12,14H,5-7H2,1-4H3
InChIKey
VFFUWAHBYYGDHT-UHFFFAOYSA-N
Compound name
(5,6-dimethyl-1-propan-2-yl-2-bicyclo[2.2.1]heptanyl)methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

196.18271 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.189986 150.5
[M+Na]+ 219.171928 157.8
[M-H]- 195.175434 152.2
[M+NH4]+ 214.216533 177.0
[M+K]+ 235.145868 154.8
[M+H-H2O]+ 179.179970 147.7
[M+HCOO]- 241.180911 168.0
[M+CH3COO]- 255.196561 186.8
[M+Na-2H]- 217.157376 150.4
[M]+ 196.18216142 149.9
[M]- 196.18325858 149.9
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.