CID 20395736

(2-nitroethyl)cyclopropane

Structural Information

Molecular Formula
C5H9NO2
SMILES
C1CC1CC[N+](=O)[O-]
InChI
InChI=1S/C5H9NO2/c7-6(8)4-3-5-1-2-5/h5H,1-4H2
InChIKey
QLYALZVIIJBFNA-UHFFFAOYSA-N
Compound name
2-nitroethylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

115.06333 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.07061 123.6
[M+Na]+ 138.05255 136.5
[M+NH4]+ 133.09715 133.0
[M+K]+ 154.02649 134.6
[M-H]- 114.05605 132.9
[M+Na-2H]- 136.03800 131.5
[M]+ 115.06278 129.0
[M]- 115.06388 129.0
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

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