CID 110651

2-nitrobutyl acrylate

Structural Information

Molecular Formula
C7H11NO4
SMILES
CCC(COC(=O)C=C)[N+](=O)[O-]
InChI
InChI=1S/C7H11NO4/c1-3-6(8(10)11)5-12-7(9)4-2/h4,6H,2-3,5H2,1H3
InChIKey
KDDXAKYGDJGCLF-UHFFFAOYSA-N
Compound name
2-nitrobutyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

173.0688 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.07608 135.7
[M+Na]+ 196.05802 145.3
[M+NH4]+ 191.10262 141.8
[M+K]+ 212.03196 144.0
[M-H]- 172.06152 134.8
[M+Na-2H]- 194.04347 137.5
[M]+ 173.06825 136.3
[M]- 173.06935 136.3
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

patents stripe