CID 83904786

3-(2-aminoethyl)oxetan-3-ol

Structural Information

Molecular Formula
C5H11NO2
SMILES
C1C(CO1)(CCN)O
InChI
InChI=1S/C5H11NO2/c6-2-1-5(7)3-8-4-5/h7H,1-4,6H2
InChIKey
PQIKHRFVWQGSGF-UHFFFAOYSA-N
Compound name
3-(2-aminoethyl)oxetan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

117.07898 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.08626 122.0
[M+Na]+ 140.06820 127.3
[M-H]- 116.07170 124.6
[M+NH4]+ 135.11280 137.4
[M+K]+ 156.04214 130.9
[M+H-H2O]+ 100.07624 113.0
[M+HCOO]- 162.07718 142.8
[M+CH3COO]- 176.09283 170.8
[M+Na-2H]- 138.05365 130.1
[M]+ 117.07843 128.8
[M]- 117.07953 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