CID 11106439

Norsecurinine

Structural Information

Molecular Formula
C12H13NO2
SMILES
C1C[C@@H]2[C@]34C[C@H](N2C1)C=CC3=CC(=O)O4
InChI
InChI=1S/C12H13NO2/c14-11-6-8-3-4-9-7-12(8,15-11)10-2-1-5-13(9)10/h3-4,6,9-10H,1-2,5,7H2/t9-,10-,12+/m1/s1
InChIKey
NBGOALXYAZVRPS-FOGDFJRCSA-N
Compound name
(1S,8S,13R)-2-oxa-9-azatetracyclo[6.5.1.01,5.09,13]tetradeca-4,6-dien-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

26
Patents

203.09464 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.10192 143.0
[M+Na]+ 226.08386 152.0
[M-H]- 202.08736 148.2
[M+NH4]+ 221.12846 169.9
[M+K]+ 242.05780 149.7
[M+H-H2O]+ 186.09190 138.8
[M+HCOO]- 248.09284 161.1
[M+CH3COO]- 262.10849 156.6
[M+Na-2H]- 224.06931 146.7
[M]+ 203.09409 143.2
[M]- 203.09519 143.2
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