CID 53939915

{7,7-dimethylbicyclo[2.2.1]heptan-1-yl}methanol

Structural Information

Molecular Formula
C10H18O
SMILES
CC1(C2CCC1(CC2)CO)C
InChI
InChI=1S/C10H18O/c1-9(2)8-3-5-10(9,7-11)6-4-8/h8,11H,3-7H2,1-2H3
InChIKey
IXBIZIOXHQMYSZ-UHFFFAOYSA-N
Compound name
(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

154.13577 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.14305 137.0
[M+Na]+ 177.12499 145.1
[M-H]- 153.12849 138.8
[M+NH4]+ 172.16959 166.7
[M+K]+ 193.09893 142.3
[M+H-H2O]+ 137.13303 134.3
[M+HCOO]- 199.13397 156.6
[M+CH3COO]- 213.14962 174.5
[M+Na-2H]- 175.11044 142.0
[M]+ 154.13522 135.7
[M]- 154.13632 135.7
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

patents stripe