CID 65179915

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

Structural Information

Molecular Formula
C10H14ClNO
SMILES
C1CCC(CC1)C2=CN=C(O2)CCl
InChI
InChI=1S/C10H14ClNO/c11-6-10-12-7-9(13-10)8-4-2-1-3-5-8/h7-8H,1-6H2
InChIKey
UVJPZWKBZNEAAX-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5-cyclohexyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.07639 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.08367 143.4
[M+Na]+ 222.06561 150.2
[M-H]- 198.06911 148.4
[M+NH4]+ 217.11021 162.3
[M+K]+ 238.03955 147.6
[M+H-H2O]+ 182.07365 136.7
[M+HCOO]- 244.07459 158.7
[M+CH3COO]- 258.09024 155.9
[M+Na-2H]- 220.05106 147.3
[M]+ 199.07584 142.2
[M]- 199.07694 142.2
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.