CID 13227648

(4-methylbicyclo[2.2.2]octan-1-yl)methanol

Structural Information

Molecular Formula
C10H18O
SMILES
CC12CCC(CC1)(CC2)CO
InChI
InChI=1S/C10H18O/c1-9-2-5-10(8-11,6-3-9)7-4-9/h11H,2-8H2,1H3
InChIKey
UDNIMRNTWHDLKM-UHFFFAOYSA-N
Compound name
(4-methyl-1-bicyclo[2.2.2]octanyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

154.13577 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.14305 138.4
[M+Na]+ 177.12499 143.2
[M-H]- 153.12849 134.1
[M+NH4]+ 172.16959 167.0
[M+K]+ 193.09893 140.3
[M+H-H2O]+ 137.13303 134.2
[M+HCOO]- 199.13397 148.8
[M+CH3COO]- 213.14962 149.1
[M+Na-2H]- 175.11044 150.7
[M]+ 154.13522 137.8
[M]- 154.13632 137.8
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