CID 15887887

2-ethyl-1,2-butanediol

Structural Information

Molecular Formula
C6H14O2
SMILES
CCC(CC)(CO)O
InChI
InChI=1S/C6H14O2/c1-3-6(8,4-2)5-7/h7-8H,3-5H2,1-2H3
InChIKey
RMEZNLDVMHNLHR-UHFFFAOYSA-N
Compound name
2-ethylbutane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

363
Patents

118.09938 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.10666 126.4
[M+Na]+ 141.08860 133.3
[M-H]- 117.09210 124.2
[M+NH4]+ 136.13320 147.9
[M+K]+ 157.06254 132.5
[M+H-H2O]+ 101.09664 123.0
[M+HCOO]- 163.09758 146.2
[M+CH3COO]- 177.11323 166.1
[M+Na-2H]- 139.07405 133.1
[M]+ 118.09883 126.3
[M]- 118.09993 126.3
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