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

10
Patents

154.13577 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.143046 138.4
[M+Na]+ 177.124988 143.2
[M-H]- 153.128494 134.1
[M+NH4]+ 172.169593 167.0
[M+K]+ 193.098928 140.3
[M+H-H2O]+ 137.133030 134.2
[M+HCOO]- 199.133971 148.8
[M+CH3COO]- 213.149621 149.1
[M+Na-2H]- 175.110436 150.7
[M]+ 154.13522142 137.8
[M]- 154.13631858 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