CID 20437689

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

Structural Information

Molecular Formula
C6H13NO
SMILES
C1CN(C1)CCCO
InChI
InChI=1S/C6H13NO/c8-6-2-5-7-3-1-4-7/h8H,1-6H2
InChIKey
FUEPSWDWSHCZHJ-UHFFFAOYSA-N
Compound name
3-(azetidin-1-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

175
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 122.6
[M+Na]+ 138.08894 127.8
[M-H]- 114.09244 123.1
[M+NH4]+ 133.13354 136.8
[M+K]+ 154.06288 130.1
[M+H-H2O]+ 98.096980 112.1
[M+HCOO]- 160.09792 142.2
[M+CH3COO]- 174.11357 170.9
[M+Na-2H]- 136.07439 129.0
[M]+ 115.09917 129.7
[M]- 115.10027 129.7
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