CID 54245381

2-ethoxy-2-methylpropan-1-ol

Structural Information

Molecular Formula
C6H14O2
SMILES
CCOC(C)(C)CO
InChI
InChI=1S/C6H14O2/c1-4-8-6(2,3)5-7/h7H,4-5H2,1-3H3
InChIKey
WOSZILCYMCIWFB-UHFFFAOYSA-N
Compound name
2-ethoxy-2-methylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

118.09938 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.10666 125.5
[M+Na]+ 141.08860 132.8
[M-H]- 117.09210 124.7
[M+NH4]+ 136.13320 147.7
[M+K]+ 157.06254 133.0
[M+H-H2O]+ 101.09664 121.9
[M+HCOO]- 163.09758 146.8
[M+CH3COO]- 177.11323 168.8
[M+Na-2H]- 139.07405 132.8
[M]+ 118.09883 127.3
[M]- 118.09993 127.3
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