CID 88512

2-nitro-4-propoxyaniline

Structural Information

Molecular Formula
C9H12N2O3
SMILES
CCCOC1=CC(=C(C=C1)N)[N+](=O)[O-]
InChI
InChI=1S/C9H12N2O3/c1-2-5-14-7-3-4-8(10)9(6-7)11(12)13/h3-4,6H,2,5,10H2,1H3
InChIKey
VUMCVANUWQZNGD-UHFFFAOYSA-N
Compound name
2-nitro-4-propoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

196.0848 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.092076 139.9
[M+Na]+ 219.074018 147.0
[M-H]- 195.077524 143.5
[M+NH4]+ 214.118623 158.2
[M+K]+ 235.047958 141.4
[M+H-H2O]+ 179.082060 138.3
[M+HCOO]- 241.083001 166.2
[M+CH3COO]- 255.098651 180.9
[M+Na-2H]- 217.059466 146.9
[M]+ 196.08425142 139.1
[M]- 196.08534858 139.1
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

patents stripe