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

1
Patents

150.06857 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.07585 125.9
[M+Na]+ 173.05779 132.7
[M-H]- 149.06129 128.2
[M+NH4]+ 168.10239 147.0
[M+K]+ 189.03173 126.7
[M+H-H2O]+ 133.06583 124.1
[M+HCOO]- 195.06677 140.0
[M+CH3COO]- 209.08242 165.0
[M+Na-2H]- 171.04324 136.5
[M]+ 150.06802 123.2
[M]- 150.06912 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.