CID 146075340

3-(1-aminoethyl)oxetan-3-ol

Structural Information

Molecular Formula
C5H11NO2
SMILES
CC(C1(COC1)O)N
InChI
InChI=1S/C5H11NO2/c1-4(6)5(7)2-8-3-5/h4,7H,2-3,6H2,1H3
InChIKey
YNNVWKYTJJOGEQ-UHFFFAOYSA-N
Compound name
3-(1-aminoethyl)oxetan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

117.07898 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.08626 124.4
[M+Na]+ 140.06820 129.3
[M-H]- 116.07170 127.0
[M+NH4]+ 135.11280 139.6
[M+K]+ 156.04214 133.4
[M+H-H2O]+ 100.07624 115.3
[M+HCOO]- 162.07718 144.1
[M+CH3COO]- 176.09283 171.7
[M+Na-2H]- 138.05365 131.0
[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