CID 71444241

Octazamido

Structural Information

Molecular Formula
C13H15NO2
SMILES
C1[C@@H]2COC[C@@H]2CN1C(=O)C3=CC=CC=C3
InChI
InChI=1S/C13H15NO2/c15-13(10-4-2-1-3-5-10)14-6-11-8-16-9-12(11)7-14/h1-5,11-12H,6-9H2/t11-,12+
InChIKey
ZSYULWHBPBAOKV-TXEJJXNPSA-N
Compound name
[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1094
Patents

217.11028 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.117556 148.7
[M+Na]+ 240.099498 154.8
[M-H]- 216.103004 155.1
[M+NH4]+ 235.144103 168.6
[M+K]+ 256.073438 153.4
[M+H-H2O]+ 200.107540 142.2
[M+HCOO]- 262.108481 167.9
[M+CH3COO]- 276.124131 161.2
[M+Na-2H]- 238.084946 150.6
[M]+ 217.10973142 146.4
[M]- 217.11082858 146.4
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