CID 137965714

4-(chloromethyl)-3-cyclobutyl-1,2-oxazole

Structural Information

Molecular Formula
C8H10ClNO
SMILES
C1CC(C1)C2=NOC=C2CCl
InChI
InChI=1S/C8H10ClNO/c9-4-7-5-11-10-8(7)6-2-1-3-6/h5-6H,1-4H2
InChIKey
ZIAGBWBCERBTGR-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-3-cyclobutyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.04509 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.05237 124.3
[M+Na]+ 194.03431 132.3
[M-H]- 170.03781 130.1
[M+NH4]+ 189.07891 138.5
[M+K]+ 210.00825 133.1
[M+H-H2O]+ 154.04235 114.2
[M+HCOO]- 216.04329 141.8
[M+CH3COO]- 230.05894 179.6
[M+Na-2H]- 192.01976 130.6
[M]+ 171.04454 135.1
[M]- 171.04564 135.1
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.