CID 83904787

2-amino-2-(oxetan-3-yl)ethan-1-ol

Structural Information

Molecular Formula
C5H11NO2
SMILES
C1C(CO1)C(CO)N
InChI
InChI=1S/C5H11NO2/c6-5(1-7)4-2-8-3-4/h4-5,7H,1-3,6H2
InChIKey
NUTOBRVPKDFQLQ-UHFFFAOYSA-N
Compound name
2-amino-2-(oxetan-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

117.07898 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.086256 123.1
[M+Na]+ 140.068198 127.1
[M-H]- 116.071704 125.3
[M+NH4]+ 135.112803 136.3
[M+K]+ 156.042138 131.2
[M+H-H2O]+ 100.076240 112.5
[M+HCOO]- 162.077181 142.8
[M+CH3COO]- 176.092831 172.1
[M+Na-2H]- 138.053646 128.6
[M]+ 117.07843142 128.8
[M]- 117.07952858 128.8
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