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]+ 197.18999 150.5
[M+Na]+ 219.17193 157.8
[M-H]- 195.17543 152.2
[M+NH4]+ 214.21653 177.0
[M+K]+ 235.14587 154.8
[M+H-H2O]+ 179.17997 147.7
[M+HCOO]- 241.18091 168.0
[M+CH3COO]- 255.19656 186.8
[M+Na-2H]- 217.15738 150.4
[M]+ 196.18216 149.9
[M]- 196.18326 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.