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

64
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 124.3
[M+Na]+ 138.08894 129.1
[M-H]- 114.09244 123.4
[M+NH4]+ 133.13354 137.7
[M+K]+ 154.06288 130.4
[M+H-H2O]+ 98.096980 113.9
[M+HCOO]- 160.09792 142.4
[M+CH3COO]- 174.11357 168.3
[M+Na-2H]- 136.07439 130.1
[M]+ 115.09917 129.5
[M]- 115.10027 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