CID 417486

73840-38-7

Structural Information

Molecular Formula
C10H15Cl2N2
SMILES
C[N+]1=CC=C(C=C1)N(CCCl)CCCl
InChI
InChI=1S/C10H15Cl2N2/c1-13-6-2-10(3-7-13)14(8-4-11)9-5-12/h2-3,6-7H,4-5,8-9H2,1H3/q+1
InChIKey
QUMQRGCVXREYTK-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-1-methylpyridin-1-ium-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.06123 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.06851 149.0
[M+Na]+ 256.05045 156.8
[M-H]- 232.05395 151.5
[M+NH4]+ 251.09505 167.0
[M+K]+ 272.02439 147.4
[M+H-H2O]+ 216.05849 145.9
[M+HCOO]- 278.05943 163.2
[M+CH3COO]- 292.07508 188.4
[M+Na-2H]- 254.03590 156.3
[M]+ 233.06068 152.2
[M]- 233.06178 152.2
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.