CID 380446

Nsc665973

Structural Information

Molecular Formula
C9H14N2O3
SMILES
CC1(N=NC(O1)(OC)OCCC#C)C
InChI
InChI=1S/C9H14N2O3/c1-5-6-7-13-9(12-4)11-10-8(2,3)14-9/h1H,6-7H2,2-4H3
InChIKey
MOHMDLVUOUWRMM-UHFFFAOYSA-N
Compound name
2-but-3-ynoxy-2-methoxy-5,5-dimethyl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.10045 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.107726 131.2
[M+Na]+ 221.089668 142.6
[M-H]- 197.093174 131.4
[M+NH4]+ 216.134273 150.0
[M+K]+ 237.063608 141.3
[M+H-H2O]+ 181.097710 119.3
[M+HCOO]- 243.098651 146.9
[M+CH3COO]- 257.114301 190.0
[M+Na-2H]- 219.075116 138.4
[M]+ 198.09990142 130.9
[M]- 198.10099858 130.9
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.