CID 102655

Einecs 216-527-6

Structural Information

Molecular Formula
C10H18O4
SMILES
CC(COCC#CCOCC(C)O)O
InChI
InChI=1S/C10H18O4/c1-9(11)7-13-5-3-4-6-14-8-10(2)12/h9-12H,5-8H2,1-2H3
InChIKey
JBTLOLAWFPERSC-UHFFFAOYSA-N
Compound name
1-[4-(2-hydroxypropoxy)but-2-ynoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

23
Patents

202.12051 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.127786 144.9
[M+Na]+ 225.109728 151.8
[M-H]- 201.113234 141.7
[M+NH4]+ 220.154333 160.8
[M+K]+ 241.083668 150.7
[M+H-H2O]+ 185.117770 134.0
[M+HCOO]- 247.118711 158.5
[M+CH3COO]- 261.134361 188.8
[M+Na-2H]- 223.095176 146.2
[M]+ 202.11996142 142.2
[M]- 202.12105858 142.2
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