CID 55282123

Cis-3-amino-4-hydroxy-tetrahydropyran

Structural Information

Molecular Formula
C5H11NO2
SMILES
C1COCC(C1O)N
InChI
InChI=1S/C5H11NO2/c6-4-3-8-2-1-5(4)7/h4-5,7H,1-3,6H2
InChIKey
KUCSFTQJADYIQH-UHFFFAOYSA-N
Compound name
3-aminooxan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

226
Patents

117.07898 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.08626 122.7
[M+Na]+ 140.06820 128.4
[M-H]- 116.07170 124.9
[M+NH4]+ 135.11280 142.7
[M+K]+ 156.04214 128.7
[M+H-H2O]+ 100.07624 117.6
[M+HCOO]- 162.07718 142.6
[M+CH3COO]- 176.09283 166.9
[M+Na-2H]- 138.05365 129.0
[M]+ 117.07843 117.1
[M]- 117.07953 117.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe