CID 6432889

1-(allyl)-2-(nitromethylene)pyrrolidine

Structural Information

Molecular Formula
C8H12N2O2
SMILES
C=CCN\1CCC/C1=C\[N+](=O)[O-]
InChI
InChI=1S/C8H12N2O2/c1-2-5-9-6-3-4-8(9)7-10(11)12/h2,7H,1,3-6H2/b8-7+
InChIKey
LWWSULAJWWHYIC-BQYQJAHWSA-N
Compound name
(2E)-2-(nitromethylidene)-1-prop-2-enylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

168.08987 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09715 138.0
[M+Na]+ 191.07909 144.2
[M-H]- 167.08259 139.9
[M+NH4]+ 186.12369 158.1
[M+K]+ 207.05303 138.3
[M+H-H2O]+ 151.08713 136.6
[M+HCOO]- 213.08807 161.0
[M+CH3COO]- 227.10372 171.5
[M+Na-2H]- 189.06454 142.9
[M]+ 168.08932 133.5
[M]- 168.09042 133.5
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.