CID 200332

Oxetane, 3,3-bis(butoxymethyl)-

Structural Information

Molecular Formula
C13H26O3
SMILES
CCCCOCC1(COC1)COCCCC
InChI
InChI=1S/C13H26O3/c1-3-5-7-14-9-13(11-16-12-13)10-15-8-6-4-2/h3-12H2,1-2H3
InChIKey
MIJOVJPDTJQYAQ-UHFFFAOYSA-N
Compound name
3,3-bis(butoxymethyl)oxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

230.1882 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.19548 153.2
[M+Na]+ 253.17742 156.6
[M-H]- 229.18092 156.4
[M+NH4]+ 248.22202 165.5
[M+K]+ 269.15136 160.0
[M+H-H2O]+ 213.18546 143.3
[M+HCOO]- 275.18640 172.9
[M+CH3COO]- 289.20205 194.7
[M+Na-2H]- 251.16287 158.8
[M]+ 230.18765 167.9
[M]- 230.18875 167.9
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