CID 145913395

3-(chloromethyl)-5-(cyclopropylmethyl)-1,2-oxazole

Structural Information

Molecular Formula
C8H10ClNO
SMILES
C1CC1CC2=CC(=NO2)CCl
InChI
InChI=1S/C8H10ClNO/c9-5-7-4-8(11-10-7)3-6-1-2-6/h4,6H,1-3,5H2
InChIKey
YJGIIGDZOLLAPZ-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-5-(cyclopropylmethyl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.04509 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.052366 133.7
[M+Na]+ 194.034308 144.7
[M-H]- 170.037814 140.3
[M+NH4]+ 189.078913 149.3
[M+K]+ 210.008248 141.8
[M+H-H2O]+ 154.042350 127.2
[M+HCOO]- 216.043291 152.8
[M+CH3COO]- 230.058941 180.0
[M+Na-2H]- 192.019756 139.9
[M]+ 171.04454142 139.3
[M]- 171.04563858 139.3
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.