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
2
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 142.9
[M+Na]+ 220.07110 148.2
[M-H]- 196.07460 140.1
[M+NH4]+ 215.11570 161.3
[M+K]+ 236.04504 146.0
[M+H-H2O]+ 180.07914 138.9
[M+HCOO]- 242.08008 158.7
[M+CH3COO]- 256.09573 181.4
[M+Na-2H]- 218.05655 145.6
[M]+ 197.08133 144.8
[M]- 197.08243 144.8
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