CID 520353

(nitromethylene)cyclopentane

Structural Information

Molecular Formula
C6H9NO2
SMILES
C1CCC(=C[N+](=O)[O-])C1
InChI
InChI=1S/C6H9NO2/c8-7(9)5-6-3-1-2-4-6/h5H,1-4H2
InChIKey
FCFLHKHBKPPQQY-UHFFFAOYSA-N
Compound name
nitromethylidenecyclopentane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

127.06333 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.07061 125.5
[M+Na]+ 150.05255 135.9
[M+NH4]+ 145.09715 134.3
[M+K]+ 166.02649 134.4
[M-H]- 126.05605 127.9
[M+Na-2H]- 148.03800 129.9
[M]+ 127.06278 127.3
[M]- 127.06388 127.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe