CID 118150

34348-46-4

Structural Information

Molecular Formula
C13H30Cl2N2O3
SMILES
C[N+](C)(CC(C[N+](C)(C)CC(CCl)O)O)CC(CCl)O
InChI
InChI=1S/C13H30Cl2N2O3/c1-16(2,7-11(18)5-14)9-13(20)10-17(3,4)8-12(19)6-15/h11-13,18-20H,5-10H2,1-4H3/q+2
InChIKey
SYIQUDNEELRFSQ-UHFFFAOYSA-N
Compound name
(3-chloro-2-hydroxypropyl)-[3-[(3-chloro-2-hydroxypropyl)-dimethylazaniumyl]-2-hydroxypropyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

332.16336 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.17064 168.6
[M+Na]+ 355.15258 171.4
[M-H]- 331.15608 166.6
[M+NH4]+ 350.19718 182.3
[M+K]+ 371.12652 157.7
[M+H-H2O]+ 315.16062 171.5
[M+HCOO]- 377.16156 175.4
[M+CH3COO]- 391.17721 199.1
[M+Na-2H]- 353.13803 174.6
[M]+ 332.16281 169.7
[M]- 332.16391 169.7
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

No patent data available for this compound.