CID 33617

26819-65-8

Structural Information

Molecular Formula
C12H18NO2
SMILES
C[C@@H]1[C@@H](C2=C(O1)C(=CC=C2)[N+](C)(C)C)O
InChI
InChI=1S/C12H18NO2/c1-8-11(14)9-6-5-7-10(12(9)15-8)13(2,3)4/h5-8,11,14H,1-4H3/q+1/t8-,11+/m1/s1
InChIKey
ORDVPWGKZPGLMB-KCJUWKMLSA-N
Compound name
[(2R,3R)-3-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.13376 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.14104 143.4
[M+Na]+ 231.12298 152.0
[M-H]- 207.12648 149.5
[M+NH4]+ 226.16758 164.4
[M+K]+ 247.09692 145.6
[M+H-H2O]+ 191.13102 141.7
[M+HCOO]- 253.13196 164.7
[M+CH3COO]- 267.14761 184.0
[M+Na-2H]- 229.10843 152.6
[M]+ 208.13321 144.2
[M]- 208.13431 144.2
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.