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]+ 175.02688 133.2
[M+Na]+ 197.00882 142.8
[M-H]- 173.01232 138.0
[M+NH4]+ 192.05342 154.0
[M+K]+ 212.98276 142.8
[M+H-H2O]+ 157.01686 127.6
[M+HCOO]- 219.01780 153.7
[M+CH3COO]- 233.03345 181.6
[M+Na-2H]- 194.99427 138.6
[M]+ 174.01905 138.0
[M]- 174.02015 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.