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
2
Annotation Hits

0
References

25
Patents

172.14633 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.15361 141.1
[M+Na]+ 195.13555 146.0
[M-H]- 171.13905 141.3
[M+NH4]+ 190.18015 162.2
[M+K]+ 211.10949 144.0
[M+H-H2O]+ 155.14359 136.9
[M+HCOO]- 217.14453 158.4
[M+CH3COO]- 231.16018 174.9
[M+Na-2H]- 193.12100 145.3
[M]+ 172.14578 136.9
[M]- 172.14688 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