CID 601607

3-(1,3-dioxan-2-yl)aniline

Structural Information

Molecular Formula
C10H13NO2
SMILES
C1COC(OC1)C2=CC(=CC=C2)N
InChI
InChI=1S/C10H13NO2/c11-9-4-1-3-8(7-9)10-12-5-2-6-13-10/h1,3-4,7,10H,2,5-6,11H2
InChIKey
LOIMKZYNBRCYDN-UHFFFAOYSA-N
Compound name
3-(1,3-dioxan-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

23
Patents

179.09464 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.10192 138.3
[M+Na]+ 202.08386 143.9
[M-H]- 178.08736 145.4
[M+NH4]+ 197.12846 154.8
[M+K]+ 218.05780 144.1
[M+H-H2O]+ 162.09190 131.4
[M+HCOO]- 224.09284 158.8
[M+CH3COO]- 238.10849 180.5
[M+Na-2H]- 200.06931 145.8
[M]+ 179.09409 134.6
[M]- 179.09519 134.6
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