CID 13400658

95849-02-8

Structural Information

Molecular Formula
C4H9NO
SMILES
C1C(CN1)CO
InChI
InChI=1S/C4H9NO/c6-3-4-1-5-2-4/h4-6H,1-3H2
InChIKey
GNVWVYIAQBJHGV-UHFFFAOYSA-N
Compound name
azetidin-3-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1418
Patents

87.06841 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 88.075686 115.1
[M+Na]+ 110.057628 120.7
[M-H]- 86.061134 114.6
[M+NH4]+ 105.102233 129.6
[M+K]+ 126.031568 122.5
[M+H-H2O]+ 70.065670 105.1
[M+HCOO]- 132.066611 133.9
[M+CH3COO]- 146.082261 162.4
[M+Na-2H]- 108.043076 122.0
[M]+ 87.06786142 119.6
[M]- 87.06895858 119.6
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