CID 131751426

3alpha-tigloyloxytropane n-oxide

Structural Information

Molecular Formula
C13H21NO3
SMILES
C/C=C(\C)/C(=O)OC1CC2CCC(C1)[N+]2(C)[O-]
InChI
InChI=1S/C13H21NO3/c1-4-9(2)13(15)17-12-7-10-5-6-11(8-12)14(10,3)16/h4,10-12H,5-8H2,1-3H3/b9-4+
InChIKey
VNARLHBYSZUQEN-RUDMXATFSA-N
Compound name
(8-methyl-8-oxido-8-azoniabicyclo[3.2.1]octan-3-yl) (E)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.15215 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.15943 156.8
[M+Na]+ 262.14137 166.3
[M+NH4]+ 257.18597 166.0
[M+K]+ 278.11531 162.9
[M-H]- 238.14487 156.7
[M+Na-2H]- 260.12682 157.7
[M]+ 239.15160 157.9
[M]- 239.15270 157.9
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.