CID 155802373

2,3-epoxyhomoanatoxin-a

Structural Information

Molecular Formula
C11H17NO2
SMILES
CCC(=O)C12[C@H]3CC[C@H](N3)CCC1O2
InChI
InChI=1S/C11H17NO2/c1-2-9(13)11-8-5-3-7(12-8)4-6-10(11)14-11/h7-8,10,12H,2-6H2,1H3/t7-,8+,10?,11?/m0/s1
InChIKey
VIEJSDSSFCHXNP-IIPFWGKHSA-N
Compound name
1-[(1R,7S)-3-oxa-10-azatricyclo[5.2.1.02,4]decan-2-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.12593 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.13321 140.0
[M+Na]+ 218.11515 147.0
[M-H]- 194.11865 143.3
[M+NH4]+ 213.15975 156.2
[M+K]+ 234.08909 146.6
[M+H-H2O]+ 178.12319 135.3
[M+HCOO]- 240.12413 153.1
[M+CH3COO]- 254.13978 151.0
[M+Na-2H]- 216.10060 145.7
[M]+ 195.12538 138.6
[M]- 195.12648 138.6
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.