CID 21709910

N-methyl-n-(oxan-4-yl)carbamoyl chloride

Structural Information

Molecular Formula
C7H12ClNO2
SMILES
CN(C1CCOCC1)C(=O)Cl
InChI
InChI=1S/C7H12ClNO2/c1-9(7(8)10)6-2-4-11-5-3-6/h6H,2-5H2,1H3
InChIKey
RWFUXLPVGAMXEF-UHFFFAOYSA-N
Compound name
N-methyl-N-(oxan-4-yl)carbamoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

177.05565 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.062926 136.7
[M+Na]+ 200.044868 142.0
[M-H]- 176.048374 141.5
[M+NH4]+ 195.089473 156.4
[M+K]+ 216.018808 142.3
[M+H-H2O]+ 160.052910 131.6
[M+HCOO]- 222.053851 153.3
[M+CH3COO]- 236.069501 181.9
[M+Na-2H]- 198.030316 141.7
[M]+ 177.05510142 136.1
[M]- 177.05619858 136.1
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