CID 51358586

3-isopropoxyazetidine

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

144
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 124.2
[M+Na]+ 138.08894 129.7
[M+NH4]+ 133.13354 128.3
[M+K]+ 154.06288 127.0
[M-H]- 114.09244 121.6
[M+Na-2H]- 136.07439 126.2
[M]+ 115.09917 122.8
[M]- 115.10027 122.8
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