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]+ 178.06293 136.7
[M+Na]+ 200.04487 142.0
[M-H]- 176.04837 141.5
[M+NH4]+ 195.08947 156.4
[M+K]+ 216.01881 142.3
[M+H-H2O]+ 160.05291 131.6
[M+HCOO]- 222.05385 153.3
[M+CH3COO]- 236.06950 181.9
[M+Na-2H]- 198.03032 141.7
[M]+ 177.05510 136.1
[M]- 177.05620 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