CID 4189425

Nitrocycloheptane

Structural Information

Molecular Formula
C7H13NO2
SMILES
C1CCCC(CC1)[N+](=O)[O-]
InChI
InChI=1S/C7H13NO2/c9-8(10)7-5-3-1-2-4-6-7/h7H,1-6H2
InChIKey
LACLQAUWSKAKQJ-UHFFFAOYSA-N
Compound name
nitrocycloheptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

248
Patents

143.09464 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 130.4
[M+Na]+ 166.08386 139.5
[M+NH4]+ 161.12846 138.6
[M+K]+ 182.05780 137.7
[M-H]- 142.08736 133.3
[M+Na-2H]- 164.06931 135.5
[M]+ 143.09409 132.3
[M]- 143.09519 132.3
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