CID 165776430

2751702-11-9

Structural Information

Molecular Formula
C6H7ClN2O2
SMILES
CC1=CC(=NO1)N(C)C(=O)Cl
InChI
InChI=1S/C6H7ClN2O2/c1-4-3-5(8-11-4)9(2)6(7)10/h3H,1-2H3
InChIKey
YCTQLWIRUDXNBT-UHFFFAOYSA-N
Compound name
N-methyl-N-(5-methyl-1,2-oxazol-3-yl)carbamoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.0196 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.026876 133.2
[M+Na]+ 197.008818 142.8
[M-H]- 173.012324 138.0
[M+NH4]+ 192.053423 154.0
[M+K]+ 212.982758 142.8
[M+H-H2O]+ 157.016860 127.6
[M+HCOO]- 219.017801 153.7
[M+CH3COO]- 233.033451 181.6
[M+Na-2H]- 194.994266 138.6
[M]+ 174.01905142 138.0
[M]- 174.02014858 138.0
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.