CID 291000

59862-73-6

Structural Information

Molecular Formula
C8H8N2O2
SMILES
CN=CC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C8H8N2O2/c1-9-6-7-2-4-8(5-3-7)10(11)12/h2-6H,1H3
InChIKey
KXVFTZOZYASDRU-UHFFFAOYSA-N
Compound name
N-methyl-1-(4-nitrophenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

164.05858 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.065856 131.0
[M+Na]+ 187.047798 138.6
[M-H]- 163.051304 136.4
[M+NH4]+ 182.092403 151.4
[M+K]+ 203.021738 133.5
[M+H-H2O]+ 147.055840 129.5
[M+HCOO]- 209.056781 159.8
[M+CH3COO]- 223.072431 176.6
[M+Na-2H]- 185.033246 140.5
[M]+ 164.05803142 130.2
[M]- 164.05912858 130.2
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