CID 379178

Nsc663588

Structural Information

Molecular Formula
C10H12N2O3
SMILES
CC(C)CC(=O)C(=[N+]=[N-])C(=O)OCC#C
InChI
InChI=1S/C10H12N2O3/c1-4-5-15-10(14)9(12-11)8(13)6-7(2)3/h1,7H,5-6H2,2-3H3
InChIKey
IHZSLVDHUVJLRM-UHFFFAOYSA-N
Compound name
prop-2-ynyl 2-diazo-5-methyl-3-oxohexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.0848 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.09208 152.8
[M+Na]+ 231.07402 159.7
[M-H]- 207.07752 153.1
[M+NH4]+ 226.11862 168.9
[M+K]+ 247.04796 154.7
[M+H-H2O]+ 191.08206 145.2
[M+HCOO]- 253.08300 171.0
[M+CH3COO]- 267.09865 193.7
[M+Na-2H]- 229.05947 154.2
[M]+ 208.08425 146.5
[M]- 208.08535 146.5
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

No patent data available for this compound.