CID 46761

Ammonium, (2-(n-(2-chloroethyl)-n-ethylamino)ethyl)bis(2-hydroxyethyl)methyl-, chloride, hydrochloride

Structural Information

Molecular Formula
C11H26ClN2O2
SMILES
CCN(CC[N+](C)(CCO)CCO)CCCl
InChI
InChI=1S/C11H26ClN2O2/c1-3-13(5-4-12)6-7-14(2,8-10-15)9-11-16/h15-16H,3-11H2,1-2H3/q+1
InChIKey
KXFIKSVWJYYNMT-UHFFFAOYSA-N
Compound name
2-[2-chloroethyl(ethyl)amino]ethyl-bis(2-hydroxyethyl)-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.16827 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.17555 158.9
[M+Na]+ 276.15749 163.0
[M-H]- 252.16099 158.4
[M+NH4]+ 271.20209 176.3
[M+K]+ 292.13143 155.4
[M+H-H2O]+ 236.16553 157.0
[M+HCOO]- 298.16647 176.1
[M+CH3COO]- 312.18212 194.0
[M+Na-2H]- 274.14294 165.2
[M]+ 253.16772 162.2
[M]- 253.16882 162.2
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.