CID 362781

Nsc627058

Structural Information

Molecular Formula
C16H21NO3
SMILES
CCCNC(=O)C(C)(CC=C)C(=O)C1=CC=CC=C1O
InChI
InChI=1S/C16H21NO3/c1-4-10-16(3,15(20)17-11-5-2)14(19)12-8-6-7-9-13(12)18/h4,6-9,18H,1,5,10-11H2,2-3H3,(H,17,20)
InChIKey
JDEUOAGGIIUPEU-UHFFFAOYSA-N
Compound name
2-(2-hydroxybenzoyl)-2-methyl-N-propylpent-4-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.15213 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.15941 165.9
[M+Na]+ 298.14135 170.6
[M-H]- 274.14485 167.6
[M+NH4]+ 293.18595 181.0
[M+K]+ 314.11529 167.4
[M+H-H2O]+ 258.14939 159.6
[M+HCOO]- 320.15033 185.4
[M+CH3COO]- 334.16598 200.8
[M+Na-2H]- 296.12680 167.9
[M]+ 275.15158 166.5
[M]- 275.15268 166.5
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.