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

1
Patents

237.17288 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.18016 157.2
[M+Na]+ 260.16210 163.4
[M-H]- 236.16560 160.0
[M+NH4]+ 255.20670 174.9
[M+K]+ 276.13604 161.0
[M+H-H2O]+ 220.17014 150.3
[M+HCOO]- 282.17108 181.0
[M+CH3COO]- 296.18673 197.0
[M+Na-2H]- 258.14755 160.5
[M]+ 237.17233 160.9
[M]- 237.17343 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