CID 19888390

3-(azetidin-3-yl)propan-1-ol hydrochloride

Structural Information

Molecular Formula
C6H13NO
SMILES
C1C(CN1)CCCO
InChI
InChI=1S/C6H13NO/c8-3-1-2-6-4-7-5-6/h6-8H,1-5H2
InChIKey
BFNCRQNQIOVYBQ-UHFFFAOYSA-N
Compound name
3-(azetidin-3-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
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 124.3
[M+Na]+ 138.088938 129.1
[M-H]- 114.092444 123.4
[M+NH4]+ 133.133543 137.7
[M+K]+ 154.062878 130.4
[M+H-H2O]+ 98.096980 113.9
[M+HCOO]- 160.097921 142.4
[M+CH3COO]- 174.113571 168.3
[M+Na-2H]- 136.074386 130.1
[M]+ 115.09917142 129.5
[M]- 115.10026858 129.5
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