CID 110084

N-methyl-n-(chloromethyl)morpholinium bromide

Structural Information

Molecular Formula
C6H13ClNO
SMILES
C[N+]1(CCOCC1)CCl
InChI
InChI=1S/C6H13ClNO/c1-8(6-7)2-4-9-5-3-8/h2-6H2,1H3/q+1
InChIKey
QJFORPWQNFEZSW-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-4-methylmorpholin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.06857 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.075846 125.9
[M+Na]+ 173.057788 132.7
[M-H]- 149.061294 128.2
[M+NH4]+ 168.102393 147.0
[M+K]+ 189.031728 126.7
[M+H-H2O]+ 133.065830 124.1
[M+HCOO]- 195.066771 140.0
[M+CH3COO]- 209.082421 165.0
[M+Na-2H]- 171.043236 136.5
[M]+ 150.06802142 123.2
[M]- 150.06911858 123.2
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.