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]+ 199.10773 131.2
[M+Na]+ 221.08967 142.6
[M-H]- 197.09317 131.4
[M+NH4]+ 216.13427 150.0
[M+K]+ 237.06361 141.3
[M+H-H2O]+ 181.09771 119.3
[M+HCOO]- 243.09865 146.9
[M+CH3COO]- 257.11430 190.0
[M+Na-2H]- 219.07512 138.4
[M]+ 198.09990 130.9
[M]- 198.10100 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.