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]+ 172.05237 133.7
[M+Na]+ 194.03431 148.2
[M+NH4]+ 189.07891 143.5
[M+K]+ 210.00825 144.6
[M-H]- 170.03781 144.2
[M+Na-2H]- 192.01976 142.9
[M]+ 171.04454 140.1
[M]- 171.04564 140.1
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.