CID 17756

2-propoxyethanol

Structural Information

Molecular Formula
C5H12O2
SMILES
CCCOCCO
InChI
InChI=1S/C5H12O2/c1-2-4-7-5-3-6/h6H,2-5H2,1H3
InChIKey
YEYKMVJDLWJFOA-UHFFFAOYSA-N
Compound name
2-propoxyethanol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

8
References

57191
Patents

104.08373 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.09101 119.9
[M+Na]+ 127.07295 130.2
[M+NH4]+ 122.11755 128.0
[M+K]+ 143.04689 124.8
[M-H]- 103.07645 119.0
[M+Na-2H]- 125.05840 123.8
[M]+ 104.08318 120.9
[M]- 104.08428 120.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe