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

1492
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]+ 110.05763 120.7
[M-H]- 86.061134 114.6
[M+NH4]+ 105.10223 129.6
[M+K]+ 126.03157 122.5
[M+H-H2O]+ 70.065670 105.1
[M+HCOO]- 132.06661 133.9
[M+CH3COO]- 146.08226 162.4
[M+Na-2H]- 108.04308 122.0
[M]+ 87.067861 119.6
[M]- 87.068959 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