CID 361717

Nsc624961

Structural Information

Molecular Formula
C6H9NO5
SMILES
C=CCCOC(=O)CO[N+](=O)[O-]
InChI
InChI=1S/C6H9NO5/c1-2-3-4-11-6(8)5-12-7(9)10/h2H,1,3-5H2
InChIKey
NGAXGTBMBGXHST-UHFFFAOYSA-N
Compound name
but-3-enyl 2-nitrooxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.04807 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.05535 134.6
[M+Na]+ 198.03729 141.3
[M-H]- 174.04079 134.9
[M+NH4]+ 193.08189 153.9
[M+K]+ 214.01123 137.8
[M+H-H2O]+ 158.04533 134.2
[M+HCOO]- 220.04627 159.8
[M+CH3COO]- 234.06192 172.4
[M+Na-2H]- 196.02274 141.4
[M]+ 175.04752 136.9
[M]- 175.04862 136.9
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.