CID 5276876

3-(4-methyl-2-nitro-phenoxy)propan-1-amine

Structural Information

Molecular Formula
C10H14N2O3
SMILES
CC1=CC(=C(C=C1)OCCCN)[N+](=O)[O-]
InChI
InChI=1S/C10H14N2O3/c1-8-3-4-10(15-6-2-5-11)9(7-8)12(13)14/h3-4,7H,2,5-6,11H2,1H3
InChIKey
KOGPKIVWGPVLKC-UHFFFAOYSA-N
Compound name
3-(4-methyl-2-nitrophenoxy)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

210.10045 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.10773 144.7
[M+Na]+ 233.08967 151.4
[M-H]- 209.09317 148.1
[M+NH4]+ 228.13427 162.5
[M+K]+ 249.06361 145.6
[M+H-H2O]+ 193.09771 142.9
[M+HCOO]- 255.09865 170.7
[M+CH3COO]- 269.11430 184.0
[M+Na-2H]- 231.07512 151.1
[M]+ 210.09990 144.3
[M]- 210.10100 144.3
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

patents stripe