CID 6435519

2-(2-butenyloxy)-3-methylbenzamide

Structural Information

Molecular Formula
C12H15NO2
SMILES
C/C=C/COC1=C(C=CC=C1C(=O)N)C
InChI
InChI=1S/C12H15NO2/c1-3-4-8-15-11-9(2)6-5-7-10(11)12(13)14/h3-7H,8H2,1-2H3,(H2,13,14)/b4-3+
InChIKey
NVUGZEGIFDSEGK-ONEGZZNKSA-N
Compound name
2-[(E)-but-2-enoxy]-3-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.11028 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 146.0
[M+Na]+ 228.09950 153.5
[M-H]- 204.10300 149.3
[M+NH4]+ 223.14410 164.8
[M+K]+ 244.07344 150.8
[M+H-H2O]+ 188.10754 139.8
[M+HCOO]- 250.10848 169.8
[M+CH3COO]- 264.12413 189.4
[M+Na-2H]- 226.08495 149.1
[M]+ 205.10973 146.7
[M]- 205.11083 146.7
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.