CID 218463

3,3-bis(propoxymethyl)oxetane

Structural Information

Molecular Formula
C11H22O3
SMILES
CCCOCC1(COC1)COCCC
InChI
InChI=1S/C11H22O3/c1-3-5-12-7-11(9-14-10-11)8-13-6-4-2/h3-10H2,1-2H3
InChIKey
PNOMACDCNXDMRZ-UHFFFAOYSA-N
Compound name
3,3-bis(propoxymethyl)oxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.15689 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.16417 143.9
[M+Na]+ 225.14611 148.1
[M-H]- 201.14961 147.4
[M+NH4]+ 220.19071 157.3
[M+K]+ 241.12005 152.0
[M+H-H2O]+ 185.15415 134.4
[M+HCOO]- 247.15509 164.2
[M+CH3COO]- 261.17074 188.9
[M+Na-2H]- 223.13156 150.5
[M]+ 202.15634 157.9
[M]- 202.15744 157.9
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