CID 1484246

N,n-dimethyl-2-(1-nitronaphthalen-2-yl)ethenamine

Structural Information

Molecular Formula
C14H14N2O2
SMILES
CN(C)C=CC1=C(C2=CC=CC=C2C=C1)[N+](=O)[O-]
InChI
InChI=1S/C14H14N2O2/c1-15(2)10-9-12-8-7-11-5-3-4-6-13(11)14(12)16(17)18/h3-10H,1-2H3
InChIKey
ADLFDROCPXPTRU-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(1-nitronaphthalen-2-yl)ethenamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

242.10553 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.11281 152.9
[M+Na]+ 265.09475 159.5
[M-H]- 241.09825 158.7
[M+NH4]+ 260.13935 171.0
[M+K]+ 281.06869 152.7
[M+H-H2O]+ 225.10279 150.4
[M+HCOO]- 287.10373 178.4
[M+CH3COO]- 301.11938 194.1
[M+Na-2H]- 263.08020 160.7
[M]+ 242.10498 152.7
[M]- 242.10608 152.7
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

No patent data available for this compound.