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

91
Patents

115.09972 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.106996 127.8
[M+Na]+ 138.088938 133.2
[M-H]- 114.092444 127.5
[M+NH4]+ 133.133543 143.2
[M+K]+ 154.062878 135.0
[M+H-H2O]+ 98.096980 118.8
[M+HCOO]- 160.097921 144.9
[M+CH3COO]- 174.113571 168.7
[M+Na-2H]- 136.074386 133.1
[M]+ 115.09917142 132.7
[M]- 115.10026858 132.7
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