CID 57488737

2-(chloromethyl)morpholin-3-one

Structural Information

Molecular Formula
C5H8ClNO2
SMILES
C1COC(C(=O)N1)CCl
InChI
InChI=1S/C5H8ClNO2/c6-3-4-5(8)7-1-2-9-4/h4H,1-3H2,(H,7,8)
InChIKey
YKNSZKRYPLTWCD-UHFFFAOYSA-N
Compound name
2-(chloromethyl)morpholin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.02435 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.03163 127.1
[M+Na]+ 172.01357 134.5
[M-H]- 148.01707 128.0
[M+NH4]+ 167.05817 145.7
[M+K]+ 187.98751 132.7
[M+H-H2O]+ 132.02161 122.1
[M+HCOO]- 194.02255 140.8
[M+CH3COO]- 208.03820 168.4
[M+Na-2H]- 169.99902 133.6
[M]+ 149.02380 124.8
[M]- 149.02490 124.8
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.