CID 115505

Methyl-beta-hydroxyethylbis(beta-hydroxyethyl)methylammoniumethylaminechloride hydrochloride

Structural Information

Molecular Formula
C10H25N2O3
SMILES
CN(CC[N+](C)(CCO)CCO)CCO
InChI
InChI=1S/C10H25N2O3/c1-11(4-8-13)3-5-12(2,6-9-14)7-10-15/h13-15H,3-10H2,1-2H3/q+1
InChIKey
PILRTNICSYHZCR-UHFFFAOYSA-N
Compound name
bis(2-hydroxyethyl)-[2-[2-hydroxyethyl(methyl)amino]ethyl]-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

221.18652 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.19380 150.7
[M+Na]+ 244.17574 154.2
[M-H]- 220.17924 149.2
[M+NH4]+ 239.22034 167.9
[M+K]+ 260.14968 148.5
[M+H-H2O]+ 204.18378 148.1
[M+HCOO]- 266.18472 171.5
[M+CH3COO]- 280.20037 186.5
[M+Na-2H]- 242.16119 157.9
[M]+ 221.18597 151.3
[M]- 221.18707 151.3
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