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

35
Patents

115.06333 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.070606 118.1
[M+Na]+ 138.052548 127.0
[M-H]- 114.056054 123.0
[M+NH4]+ 133.097153 135.4
[M+K]+ 154.026488 122.0
[M+H-H2O]+ 98.060590 117.4
[M+HCOO]- 160.061531 144.0
[M+CH3COO]- 174.077181 168.0
[M+Na-2H]- 136.037996 127.2
[M]+ 115.06278142 119.2
[M]- 115.06387858 119.2
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