CID 27216

M-anisidine, 4-(heptyloxy)-

Structural Information

Molecular Formula
C14H23NO2
SMILES
CCCCCCCOC1=C(C=C(C=C1)N)OC
InChI
InChI=1S/C14H23NO2/c1-3-4-5-6-7-10-17-13-9-8-12(15)11-14(13)16-2/h8-9,11H,3-7,10,15H2,1-2H3
InChIKey
XTBGKGYKNKIIJI-UHFFFAOYSA-N
Compound name
4-heptoxy-3-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

237.17288 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.180156 157.2
[M+Na]+ 260.162098 163.4
[M-H]- 236.165604 160.0
[M+NH4]+ 255.206703 174.9
[M+K]+ 276.136038 161.0
[M+H-H2O]+ 220.170140 150.3
[M+HCOO]- 282.171081 181.0
[M+CH3COO]- 296.186731 197.0
[M+Na-2H]- 258.147546 160.5
[M]+ 237.17233142 160.9
[M]- 237.17342858 160.9
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