CID 3062986

Morpholine, 4-(2-chloroethyl)-, 4-oxide

Structural Information

Molecular Formula
C6H12ClNO2
SMILES
C1COCC[N+]1(CCCl)[O-]
InChI
InChI=1S/C6H12ClNO2/c7-1-2-8(9)3-5-10-6-4-8/h1-6H2
InChIKey
WOIFESMHYYDDRP-UHFFFAOYSA-N
Compound name
4-(2-chloroethyl)-4-oxidomorpholin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

165.05565 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.062926 130.9
[M+Na]+ 188.044868 137.0
[M-H]- 164.048374 131.4
[M+NH4]+ 183.089473 150.5
[M+K]+ 204.018808 131.5
[M+H-H2O]+ 148.052910 131.3
[M+HCOO]- 210.053851 144.6
[M+CH3COO]- 224.069501 163.9
[M+Na-2H]- 186.030316 140.4
[M]+ 165.05510142 127.4
[M]- 165.05619858 127.4
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