CID 53447272

2-methoxy-3-nitroprop-2-en-1-amine

Structural Information

Molecular Formula
C4H8N2O3
SMILES
COC(=C[N+](=O)[O-])CN
InChI
InChI=1S/C4H8N2O3/c1-9-4(2-5)3-6(7)8/h3H,2,5H2,1H3
InChIKey
RANWRJYBGURCMV-UHFFFAOYSA-N
Compound name
2-methoxy-3-nitroprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

132.0535 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.06078 123.9
[M+Na]+ 155.04272 133.2
[M+NH4]+ 150.08732 130.8
[M+K]+ 171.01666 132.1
[M-H]- 131.04622 124.1
[M+Na-2H]- 153.02817 126.6
[M]+ 132.05295 124.7
[M]- 132.05405 124.7
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.