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

8
Patents

165.05565 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.06293 130.9
[M+Na]+ 188.04487 137.0
[M-H]- 164.04837 131.4
[M+NH4]+ 183.08947 150.5
[M+K]+ 204.01881 131.5
[M+H-H2O]+ 148.05291 131.3
[M+HCOO]- 210.05385 144.6
[M+CH3COO]- 224.06950 163.9
[M+Na-2H]- 186.03032 140.4
[M]+ 165.05510 127.4
[M]- 165.05620 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