CID 21463402

1016232-92-0

Structural Information

Molecular Formula
C5H11NO2
SMILES
C1C(CN1)(CO)CO
InChI
InChI=1S/C5H11NO2/c7-3-5(4-8)1-6-2-5/h6-8H,1-4H2
InChIKey
JAXQPBINKGFTPK-UHFFFAOYSA-N
Compound name
[3-(hydroxymethyl)azetidin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

117.07898 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.086256 125.6
[M+Na]+ 140.068198 131.1
[M-H]- 116.071704 123.9
[M+NH4]+ 135.112803 140.1
[M+K]+ 156.042138 132.2
[M+H-H2O]+ 100.076240 116.7
[M+HCOO]- 162.077181 142.7
[M+CH3COO]- 176.092831 164.4
[M+Na-2H]- 138.053646 132.2
[M]+ 117.07843142 130.4
[M]- 117.07952858 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

patents stripe