CID 12905099

49783-72-4

Structural Information

Molecular Formula
C5H4ClNO2
SMILES
CC1=NOC(=C1)C(=O)Cl
InChI
InChI=1S/C5H4ClNO2/c1-3-2-4(5(6)8)9-7-3/h2H,1H3
InChIKey
VUBCNGCMOPTDED-UHFFFAOYSA-N
Compound name
3-methyl-1,2-oxazole-5-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

144.99306 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.00034 123.1
[M+Na]+ 167.98228 133.8
[M-H]- 143.98578 126.6
[M+NH4]+ 163.02688 144.7
[M+K]+ 183.95622 132.8
[M+H-H2O]+ 127.99032 118.4
[M+HCOO]- 189.99126 142.4
[M+CH3COO]- 204.00691 170.9
[M+Na-2H]- 165.96773 129.6
[M]+ 144.99251 127.0
[M]- 144.99361 127.0
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

patents stripe