CID 80463498

3-(chloromethyl)-5-cyclopropyl-4-methyl-1,2-oxazole

Structural Information

Molecular Formula
C8H10ClNO
SMILES
CC1=C(ON=C1CCl)C2CC2
InChI
InChI=1S/C8H10ClNO/c1-5-7(4-9)10-11-8(5)6-2-3-6/h6H,2-4H2,1H3
InChIKey
OHYQKCPQXQADNY-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-5-cyclopropyl-4-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.04509 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.05237 133.5
[M+Na]+ 194.03431 145.4
[M-H]- 170.03781 140.5
[M+NH4]+ 189.07891 149.4
[M+K]+ 210.00825 142.3
[M+H-H2O]+ 154.04235 127.3
[M+HCOO]- 216.04329 152.5
[M+CH3COO]- 230.05894 181.1
[M+Na-2H]- 192.01976 139.0
[M]+ 171.04454 139.5
[M]- 171.04564 139.5
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.