CID 106758

1,4-cyclohexanedimethanol, 1-ethyl-

Structural Information

Molecular Formula
C10H20O2
SMILES
CCC1(CCC(CC1)CO)CO
InChI
InChI=1S/C10H20O2/c1-2-10(8-12)5-3-9(7-11)4-6-10/h9,11-12H,2-8H2,1H3
InChIKey
JYQMOHNWAKXCDM-UHFFFAOYSA-N
Compound name
[4-ethyl-4-(hydroxymethyl)cyclohexyl]methanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

23
Patents

172.14633 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.153606 141.1
[M+Na]+ 195.135548 146.0
[M-H]- 171.139054 141.3
[M+NH4]+ 190.180153 162.2
[M+K]+ 211.109488 144.0
[M+H-H2O]+ 155.143590 136.9
[M+HCOO]- 217.144531 158.4
[M+CH3COO]- 231.160181 174.9
[M+Na-2H]- 193.120996 145.3
[M]+ 172.14578142 136.9
[M]- 172.14687858 136.9
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

patents stripe