CID 33287

Diallyldimethylammonium chloride

Structural Information

Molecular Formula
C8H16N
SMILES
C[N+](C)(CC=C)CC=C
InChI
InChI=1S/C8H16N/c1-5-7-9(3,4)8-6-2/h5-6H,1-2,7-8H2,3-4H3/q+1
InChIKey
YIOJGTBNHQAVBO-UHFFFAOYSA-N
Compound name
dimethyl-bis(prop-2-enyl)azanium
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

411
References

105764
Patents

126.12827 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.13555 124.9
[M+Na]+ 149.11749 132.0
[M-H]- 125.12099 127.0
[M+NH4]+ 144.16209 147.9
[M+K]+ 165.09143 125.9
[M+H-H2O]+ 109.12553 123.7
[M+HCOO]- 171.12647 149.1
[M+CH3COO]- 185.14212 172.6
[M+Na-2H]- 147.10294 134.9
[M]+ 126.12772 124.6
[M]- 126.12882 124.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe