CID 20284566

99979-76-7

Structural Information

Molecular Formula
C5H6ClNO
SMILES
CC1=NOC=C1CCl
InChI
InChI=1S/C5H6ClNO/c1-4-5(2-6)3-8-7-4/h3H,2H2,1H3
InChIKey
ZZXFXHBNCPQBMK-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-3-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

131.0138 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.02108 121.2
[M+Na]+ 154.00302 131.9
[M-H]- 130.00652 124.4
[M+NH4]+ 149.04762 143.5
[M+K]+ 169.97696 130.7
[M+H-H2O]+ 114.01106 116.4
[M+HCOO]- 176.01200 141.0
[M+CH3COO]- 190.02765 169.0
[M+Na-2H]- 151.98847 128.9
[M]+ 131.01325 124.9
[M]- 131.01435 124.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe