CID 21698321

141399-53-3

Structural Information

Molecular Formula
C5H6ClNO
SMILES
CC1=NC(=CO1)CCl
InChI
InChI=1S/C5H6ClNO/c1-4-7-5(2-6)3-8-4/h3H,2H2,1H3
InChIKey
BHSQXKLNZCIOKT-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-methyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

131.0138 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.021076 121.2
[M+Na]+ 154.003018 131.9
[M-H]- 130.006524 124.4
[M+NH4]+ 149.047623 143.5
[M+K]+ 169.976958 130.7
[M+H-H2O]+ 114.011060 116.4
[M+HCOO]- 176.012001 141.0
[M+CH3COO]- 190.027651 169.0
[M+Na-2H]- 151.988466 128.9
[M]+ 131.01325142 124.9
[M]- 131.01434858 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

No literature data available for this compound.

Patent stripe

patents stripe