CID 20012

Quaternium-15

Structural Information

Molecular Formula
C9H16ClN4
SMILES
C1N2CN3CN1C[N+](C2)(C3)CC=CCl
InChI
InChI=1S/C9H16ClN4/c10-2-1-3-14-7-11-4-12(8-14)6-13(5-11)9-14/h1-2H,3-9H2/q+1
InChIKey
LDLCEGCJYSDJLX-UHFFFAOYSA-N
Compound name
1-(3-chloroprop-2-enyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

62
References

12506
Patents

215.10635 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.113626 142.7
[M+Na]+ 238.095568 147.1
[M-H]- 214.099074 132.9
[M+NH4]+ 233.140173 163.5
[M+K]+ 254.069508 138.0
[M+H-H2O]+ 198.103610 136.6
[M+HCOO]- 260.104551 142.0
[M+CH3COO]- 274.120201 150.2
[M+Na-2H]- 236.081016 157.3
[M]+ 215.10580142 142.5
[M]- 215.10689858 142.5
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