CID 115980

Beta-chloroethyl-bis(beta-hydroxyethyl)amine hydrochloride

Structural Information

Molecular Formula
C6H14ClNO2
SMILES
CCN(CCO)CC(O)Cl
InChI
InChI=1S/C6H14ClNO2/c1-2-8(3-4-9)5-6(7)10/h6,9-10H,2-5H2,1H3
InChIKey
XAHDGKKQGYLNAN-UHFFFAOYSA-N
Compound name
1-chloro-2-[ethyl(2-hydroxyethyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.0713 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.07858 135.7
[M+Na]+ 190.06052 141.9
[M-H]- 166.06402 134.5
[M+NH4]+ 185.10512 156.1
[M+K]+ 206.03446 140.3
[M+H-H2O]+ 150.06856 131.9
[M+HCOO]- 212.06950 153.0
[M+CH3COO]- 226.08515 178.9
[M+Na-2H]- 188.04597 139.4
[M]+ 167.07075 137.6
[M]- 167.07185 137.6
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

No patent data available for this compound.