CID 3571324

2-decoxyaniline

Structural Information

Molecular Formula
C16H27NO
SMILES
CCCCCCCCCCOC1=CC=CC=C1N
InChI
InChI=1S/C16H27NO/c1-2-3-4-5-6-7-8-11-14-18-16-13-10-9-12-15(16)17/h9-10,12-13H,2-8,11,14,17H2,1H3
InChIKey
XYXQICWOBHAZQD-UHFFFAOYSA-N
Compound name
2-decoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

249.20926 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.21654 163.1
[M+Na]+ 272.19848 174.0
[M+NH4]+ 267.24308 170.9
[M+K]+ 288.17242 165.5
[M-H]- 248.20198 165.8
[M+Na-2H]- 270.18393 168.5
[M]+ 249.20871 165.3
[M]- 249.20981 165.3
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