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

87
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 127.8
[M+Na]+ 138.08894 133.2
[M-H]- 114.09244 127.5
[M+NH4]+ 133.13354 143.2
[M+K]+ 154.06288 135.0
[M+H-H2O]+ 98.096980 118.8
[M+HCOO]- 160.09792 144.9
[M+CH3COO]- 174.11357 168.7
[M+Na-2H]- 136.07439 133.1
[M]+ 115.09917 132.7
[M]- 115.10027 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