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]+ 196.133206 140.0
[M+Na]+ 218.115148 147.0
[M-H]- 194.118654 143.3
[M+NH4]+ 213.159753 156.2
[M+K]+ 234.089088 146.6
[M+H-H2O]+ 178.123190 135.3
[M+HCOO]- 240.124131 153.1
[M+CH3COO]- 254.139781 151.0
[M+Na-2H]- 216.100596 145.7
[M]+ 195.12538142 138.6
[M]- 195.12647858 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.