CID 54594266

2-amino-1-(oxan-4-yl)ethan-1-ol hydrochloride

Structural Information

Molecular Formula
C7H15NO2
SMILES
C1COCCC1C(CN)O
InChI
InChI=1S/C7H15NO2/c8-5-7(9)6-1-3-10-4-2-6/h6-7,9H,1-5,8H2
InChIKey
YSRQSWIJJLAZMI-UHFFFAOYSA-N
Compound name
2-amino-1-(oxan-4-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
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 132.7
[M+Na]+ 168.09950 136.2
[M-H]- 144.10300 134.1
[M+NH4]+ 163.14410 151.1
[M+K]+ 184.07344 136.5
[M+H-H2O]+ 128.10754 127.0
[M+HCOO]- 190.10848 150.9
[M+CH3COO]- 204.12413 172.8
[M+Na-2H]- 166.08495 137.3
[M]+ 145.10973 126.7
[M]- 145.11083 126.7
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