CID 6455883

2-propanol, 1-(bis(2-hydroxyethyl)amino)-3-chloro-

Structural Information

Molecular Formula
C7H16ClNO3
SMILES
C(CO)N(CCO)CC(CCl)O
InChI
InChI=1S/C7H16ClNO3/c8-5-7(12)6-9(1-3-10)2-4-11/h7,10-12H,1-6H2
InChIKey
BNBXZUULZUINFR-UHFFFAOYSA-N
Compound name
1-[bis(2-hydroxyethyl)amino]-3-chloropropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

197.08188 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.08916 141.4
[M+Na]+ 220.07110 149.0
[M+NH4]+ 215.11570 147.6
[M+K]+ 236.04504 145.2
[M-H]- 196.07460 139.1
[M+Na-2H]- 218.05655 142.7
[M]+ 197.08133 141.6
[M]- 197.08243 141.6
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

patents stripe