CID 1858356

(2z)-2-(nitromethylidene)azepane

Structural Information

Molecular Formula
C7H12N2O2
SMILES
C1CC/C(=C/[N+](=O)[O-])/NCC1
InChI
InChI=1S/C7H12N2O2/c10-9(11)6-7-4-2-1-3-5-8-7/h6,8H,1-5H2/b7-6-
InChIKey
VVTVZDUKYJWIDH-SREVYHEPSA-N
Compound name
(2Z)-2-(nitromethylidene)azepane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

0
Patents

156.08987 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.09715 133.6
[M+Na]+ 179.07909 142.0
[M+NH4]+ 174.12369 140.4
[M+K]+ 195.05303 140.6
[M-H]- 155.08259 134.9
[M+Na-2H]- 177.06454 137.6
[M]+ 156.08932 134.8
[M]- 156.09042 134.8
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

No patent data available for this compound.