CID 63282490

1-(3-hydroxypropyl)azetidin-3-ol

Structural Information

Molecular Formula
C6H13NO2
SMILES
C1C(CN1CCCO)O
InChI
InChI=1S/C6H13NO2/c8-3-1-2-7-4-6(9)5-7/h6,8-9H,1-5H2
InChIKey
CIQUUTJNKICSGY-UHFFFAOYSA-N
Compound name
1-(3-hydroxypropyl)azetidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

131.09464 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.10192 126.9
[M+Na]+ 154.08386 132.4
[M-H]- 130.08736 126.3
[M+NH4]+ 149.12846 139.9
[M+K]+ 170.05780 134.2
[M+H-H2O]+ 114.09190 116.5
[M+HCOO]- 176.09284 145.2
[M+CH3COO]- 190.10849 171.3
[M+Na-2H]- 152.06931 131.9
[M]+ 131.09409 133.9
[M]- 131.09519 133.9
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