CID 12917017

(nitromethyl)cyclopropane

Structural Information

Molecular Formula
C4H7NO2
SMILES
C1CC1C[N+](=O)[O-]
InChI
InChI=1S/C4H7NO2/c6-5(7)3-4-1-2-4/h4H,1-3H2
InChIKey
CNQRUWUTTPVLOW-UHFFFAOYSA-N
Compound name
nitromethylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

101.047676 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.05495 113.6
[M+Na]+ 124.03689 122.9
[M-H]- 100.04040 118.7
[M+NH4]+ 119.08150 131.4
[M+K]+ 140.01083 118.1
[M+H-H2O]+ 84.044936 113.0
[M+HCOO]- 146.04588 139.8
[M+CH3COO]- 160.06153 165.1
[M+Na-2H]- 122.02234 123.2
[M]+ 101.04713 114.3
[M]- 101.04822 114.3
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

patents stripe