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 124.2
[M+Na]+ 155.04272 130.7
[M-H]- 131.04622 124.3
[M+NH4]+ 150.08732 144.7
[M+K]+ 171.01666 127.0
[M+H-H2O]+ 115.05076 124.0
[M+HCOO]- 177.05170 149.8
[M+CH3COO]- 191.06735 167.1
[M+Na-2H]- 153.02817 131.0
[M]+ 132.05295 121.7
[M]- 132.05405 121.7
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.