CID 3040078

Brn 0913095

Structural Information

Molecular Formula
C13H20N2O2
SMILES
CCNC(=O)C1=C(OC(=N1)C2CCCCC2)C
InChI
InChI=1S/C13H20N2O2/c1-3-14-12(16)11-9(2)17-13(15-11)10-7-5-4-6-8-10/h10H,3-8H2,1-2H3,(H,14,16)
InChIKey
YIUOIROMOSKMIG-UHFFFAOYSA-N
Compound name
2-cyclohexyl-N-ethyl-5-methyl-1,3-oxazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

236.15248 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.15976 156.2
[M+Na]+ 259.14170 161.1
[M-H]- 235.14520 161.6
[M+NH4]+ 254.18630 172.6
[M+K]+ 275.11564 159.9
[M+H-H2O]+ 219.14974 148.6
[M+HCOO]- 281.15068 175.7
[M+CH3COO]- 295.16633 193.2
[M+Na-2H]- 257.12715 157.8
[M]+ 236.15193 154.0
[M]- 236.15303 154.0
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

patents stripe