CID 51358586

3-isopropoxy-azetidine

Structural Information

Molecular Formula
C6H13NO
SMILES
CC(C)OC1CNC1
InChI
InChI=1S/C6H13NO/c1-5(2)8-6-3-7-4-6/h5-7H,3-4H2,1-2H3
InChIKey
QQOPXZDLCMWTIO-UHFFFAOYSA-N
Compound name
3-propan-2-yloxyazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

146
Patents

115.09972 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 124.5
[M+Na]+ 138.08894 129.5
[M-H]- 114.09244 125.1
[M+NH4]+ 133.13354 138.6
[M+K]+ 154.06288 132.2
[M+H-H2O]+ 98.096980 114.0
[M+HCOO]- 160.09792 143.2
[M+CH3COO]- 174.11357 171.7
[M+Na-2H]- 136.07439 129.6
[M]+ 115.09917 131.0
[M]- 115.10027 131.0
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