CID 105427104

2253632-08-3

Structural Information

Molecular Formula
C5H11NO2
SMILES
COC1(CNC1)CO
InChI
InChI=1S/C5H11NO2/c1-8-5(4-7)2-6-3-5/h6-7H,2-4H2,1H3
InChIKey
JANABEYEOJKUTR-UHFFFAOYSA-N
Compound name
(3-methoxyazetidin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

117.07898 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.08626 123.7
[M+Na]+ 140.06820 129.6
[M-H]- 116.07170 123.4
[M+NH4]+ 135.11280 139.0
[M+K]+ 156.04214 131.7
[M+H-H2O]+ 100.07624 114.7
[M+HCOO]- 162.07718 142.4
[M+CH3COO]- 176.09283 166.9
[M+Na-2H]- 138.05365 131.0
[M]+ 117.07843 130.4
[M]- 117.07953 130.4
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

No patent data available for this compound.