CID 379012

Nsc662777

Structural Information

Molecular Formula
C9H10N2O3
SMILES
CC(=O)C(=[N+]=[N-])C(=O)OC(C)(C)C#C
InChI
InChI=1S/C9H10N2O3/c1-5-9(3,4)14-8(13)7(11-10)6(2)12/h1H,2-4H3
InChIKey
RLPJUVHWUUICOK-UHFFFAOYSA-N
Compound name
2-methylbut-3-yn-2-yl 2-diazo-3-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.06914 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.07642 149.5
[M+Na]+ 217.05836 157.2
[M-H]- 193.06186 150.2
[M+NH4]+ 212.10296 166.2
[M+K]+ 233.03230 152.6
[M+H-H2O]+ 177.06640 142.6
[M+HCOO]- 239.06734 167.5
[M+CH3COO]- 253.08299 190.3
[M+Na-2H]- 215.04381 153.4
[M]+ 194.06859 142.9
[M]- 194.06969 142.9
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.