CID 32597

Pyracarbolid

Structural Information

Molecular Formula
C13H15NO2
SMILES
CC1=C(CCCO1)C(=O)NC2=CC=CC=C2
InChI
InChI=1S/C13H15NO2/c1-10-12(8-5-9-16-10)13(15)14-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3,(H,14,15)
InChIKey
YPCALTGLHFLNGA-UHFFFAOYSA-N
Compound name
6-methyl-N-phenyl-3,4-dihydro-2H-pyran-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

6458
Patents

217.11028 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.117556 148.5
[M+Na]+ 240.099498 153.7
[M-H]- 216.103004 155.4
[M+NH4]+ 235.144103 165.0
[M+K]+ 256.073438 152.4
[M+H-H2O]+ 200.107540 141.1
[M+HCOO]- 262.108481 170.2
[M+CH3COO]- 276.124131 189.1
[M+Na-2H]- 238.084946 154.4
[M]+ 217.10973142 146.1
[M]- 217.11082858 146.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe