CID 27217

M-anisidine, 4-(decyloxy)-

Structural Information

Molecular Formula
C17H29NO2
SMILES
CCCCCCCCCCOC1=C(C=C(C=C1)N)OC
InChI
InChI=1S/C17H29NO2/c1-3-4-5-6-7-8-9-10-13-20-16-12-11-15(18)14-17(16)19-2/h11-12,14H,3-10,13,18H2,1-2H3
InChIKey
SRXKJCBJURRJSR-UHFFFAOYSA-N
Compound name
4-decoxy-3-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

279.21982 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.22710 170.9
[M+Na]+ 302.20904 175.8
[M-H]- 278.21254 173.1
[M+NH4]+ 297.25364 186.9
[M+K]+ 318.18298 172.6
[M+H-H2O]+ 262.21708 163.4
[M+HCOO]- 324.21802 193.6
[M+CH3COO]- 338.23367 206.0
[M+Na-2H]- 300.19449 172.6
[M]+ 279.21927 175.6
[M]- 279.22037 175.6
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