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]+ 118.08626 125.6
[M+Na]+ 140.06820 131.1
[M-H]- 116.07170 123.9
[M+NH4]+ 135.11280 140.1
[M+K]+ 156.04214 132.2
[M+H-H2O]+ 100.07624 116.7
[M+HCOO]- 162.07718 142.7
[M+CH3COO]- 176.09283 164.4
[M+Na-2H]- 138.05365 132.2
[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

patents stripe