CID 343570

Nsc383354

Structural Information

Molecular Formula
C10H11NO3
SMILES
COC1=CC(=O)C=C2CCCN2C1=O
InChI
InChI=1S/C10H11NO3/c1-14-9-6-8(12)5-7-3-2-4-11(7)10(9)13/h5-6H,2-4H2,1H3
InChIKey
WKMWQVXDXJGKKN-UHFFFAOYSA-N
Compound name
6-methoxy-2,3-dihydro-1H-pyrrolo[1,2-a]azepine-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.0739 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08118 134.5
[M+Na]+ 216.06312 143.3
[M-H]- 192.06662 139.8
[M+NH4]+ 211.10772 154.7
[M+K]+ 232.03706 145.0
[M+H-H2O]+ 176.07116 129.4
[M+HCOO]- 238.07210 156.9
[M+CH3COO]- 252.08775 184.3
[M+Na-2H]- 214.04857 139.6
[M]+ 193.07335 134.2
[M]- 193.07445 134.2
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.