CID 499405

Nsc676726

Structural Information

Molecular Formula
C11H18N2O2
SMILES
CC1COC(=N1)C(C)(C)C2=NC(CO2)C
InChI
InChI=1S/C11H18N2O2/c1-7-5-14-9(12-7)11(3,4)10-13-8(2)6-15-10/h7-8H,5-6H2,1-4H3
InChIKey
MUFYSMUEBCWPGF-UHFFFAOYSA-N
Compound name
4-methyl-2-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

210.13683 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.14411 147.4
[M+Na]+ 233.12605 155.4
[M-H]- 209.12955 152.9
[M+NH4]+ 228.17065 164.7
[M+K]+ 249.09999 156.3
[M+H-H2O]+ 193.13409 141.4
[M+HCOO]- 255.13503 165.7
[M+CH3COO]- 269.15068 186.2
[M+Na-2H]- 231.11150 150.8
[M]+ 210.13628 149.5
[M]- 210.13738 149.5
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

patents stripe