CID 109408

68479-76-5

Structural Information

Molecular Formula
C12H28Cl2N2O2
SMILES
C[N+](C)(CC[N+](C)(C)CC(CCl)O)CC(CCl)O
InChI
InChI=1S/C12H28Cl2N2O2/c1-15(2,9-11(17)7-13)5-6-16(3,4)10-12(18)8-14/h11-12,17-18H,5-10H2,1-4H3/q+2
InChIKey
REJGNEHIGQUMNR-UHFFFAOYSA-N
Compound name
(3-chloro-2-hydroxypropyl)-[2-[(3-chloro-2-hydroxypropyl)-dimethylazaniumyl]ethyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

302.15277 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.16005 163.4
[M+Na]+ 325.14199 167.3
[M-H]- 301.14549 162.7
[M+NH4]+ 320.18659 179.0
[M+K]+ 341.11593 153.7
[M+H-H2O]+ 285.15003 166.1
[M+HCOO]- 347.15097 172.4
[M+CH3COO]- 361.16662 196.4
[M+Na-2H]- 323.12744 171.0
[M]+ 302.15222 165.1
[M]- 302.15332 165.1
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