CID 4677490

2-nitro-4,5-dipropoxyaniline

Structural Information

Molecular Formula
C12H18N2O4
SMILES
CCCOC1=C(C=C(C(=C1)N)[N+](=O)[O-])OCCC
InChI
InChI=1S/C12H18N2O4/c1-3-5-17-11-7-9(13)10(14(15)16)8-12(11)18-6-4-2/h7-8H,3-6,13H2,1-2H3
InChIKey
GUNXHZFNPWODAC-UHFFFAOYSA-N
Compound name
2-nitro-4,5-dipropoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.12666 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.13394 156.2
[M+Na]+ 277.11588 167.7
[M+NH4]+ 272.16048 162.9
[M+K]+ 293.08982 164.7
[M-H]- 253.11938 159.1
[M+Na-2H]- 275.10133 160.5
[M]+ 254.12611 158.3
[M]- 254.12721 158.3
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

No patent data available for this compound.