CID 97961

1,3-bis(2,3-epoxypropoxy)butane

Structural Information

Molecular Formula
C10H18O4
SMILES
CC(CCOCC1CO1)OCC2CO2
InChI
InChI=1S/C10H18O4/c1-8(12-5-10-7-14-10)2-3-11-4-9-6-13-9/h8-10H,2-7H2,1H3
InChIKey
JROOCDXTPKCUIO-UHFFFAOYSA-N
Compound name
2-[4-(oxiran-2-ylmethoxy)butan-2-yloxymethyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

610
Patents

202.12051 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.12779 154.8
[M+Na]+ 225.10973 161.2
[M-H]- 201.11323 162.9
[M+NH4]+ 220.15433 160.6
[M+K]+ 241.08367 163.1
[M+H-H2O]+ 185.11777 147.6
[M+HCOO]- 247.11871 172.6
[M+CH3COO]- 261.13436 197.0
[M+Na-2H]- 223.09518 159.1
[M]+ 202.11996 164.2
[M]- 202.12106 164.2
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