CID 6433643

M-anisidine, 4-(3-heptenyloxy)-

Structural Information

Molecular Formula
C14H21NO2
SMILES
CCC/C=C/CCOC1=C(C=C(C=C1)N)OC
InChI
InChI=1S/C14H21NO2/c1-3-4-5-6-7-10-17-13-9-8-12(15)11-14(13)16-2/h5-6,8-9,11H,3-4,7,10,15H2,1-2H3/b6-5+
InChIKey
XDXIGKUXNAOVQN-AATRIKPKSA-N
Compound name
4-[(E)-hept-3-enoxy]-3-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.15723 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.16451 156.1
[M+Na]+ 258.14645 162.7
[M-H]- 234.14995 158.9
[M+NH4]+ 253.19105 173.9
[M+K]+ 274.12039 159.6
[M+H-H2O]+ 218.15449 149.3
[M+HCOO]- 280.15543 180.1
[M+CH3COO]- 294.17108 195.4
[M+Na-2H]- 256.13190 159.4
[M]+ 235.15668 158.9
[M]- 235.15778 158.9
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

No patent data available for this compound.