CID 22163791

3-(propan-2-yl)azetidin-3-ol hydrochloride

Structural Information

Molecular Formula
C6H13NO
SMILES
CC(C)C1(CNC1)O
InChI
InChI=1S/C6H13NO/c1-5(2)6(8)3-7-4-6/h5,7-8H,3-4H2,1-2H3
InChIKey
JJZBZSJMFXRHFE-UHFFFAOYSA-N
Compound name
3-propan-2-ylazetidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

115.09972 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 125.8
[M+Na]+ 138.08894 130.9
[M+NH4]+ 133.13354 131.0
[M+K]+ 154.06288 126.9
[M-H]- 114.09244 122.7
[M+Na-2H]- 136.07439 128.6
[M]+ 115.09917 124.3
[M]- 115.10027 124.3
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