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]+ 203.164166 143.9
[M+Na]+ 225.146108 148.1
[M-H]- 201.149614 147.4
[M+NH4]+ 220.190713 157.3
[M+K]+ 241.120048 152.0
[M+H-H2O]+ 185.154150 134.4
[M+HCOO]- 247.155091 164.2
[M+CH3COO]- 261.170741 188.9
[M+Na-2H]- 223.131556 150.5
[M]+ 202.15634142 157.9
[M]- 202.15743858 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