CID 66916273

4-(1-aminoethyl)oxan-4-olhydrochloride

Structural Information

Molecular Formula
C7H15NO2
SMILES
CC(C1(CCOCC1)O)N
InChI
InChI=1S/C7H15NO2/c1-6(8)7(9)2-4-10-5-3-7/h6,9H,2-5,8H2,1H3
InChIKey
KWYBBQAUSTWSKF-UHFFFAOYSA-N
Compound name
4-(1-aminoethyl)oxan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

145.11028 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.11756 131.8
[M+Na]+ 168.09950 140.4
[M+NH4]+ 163.14410 141.2
[M+K]+ 184.07344 134.8
[M-H]- 144.10300 134.3
[M+Na-2H]- 166.08495 136.7
[M]+ 145.10973 133.5
[M]- 145.11083 133.5
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