CID 215261

35327-73-2

Structural Information

Molecular Formula
C12H16NO
SMILES
C[N+]12CCCCC1OC3=CC=CC=C23
InChI
InChI=1S/C12H16NO/c1-13-9-5-4-8-12(13)14-11-7-3-2-6-10(11)13/h2-3,6-7,12H,4-5,8-9H2,1H3/q+1
InChIKey
BBGGGNWWJLYERG-UHFFFAOYSA-N
Compound name
10-methyl-2,3,4,4a-tetrahydro-1H-pyrido[2,1-b][1,3]benzoxazol-10-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.12318 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.13046 139.4
[M+Na]+ 213.11240 147.0
[M-H]- 189.11590 143.9
[M+NH4]+ 208.15700 162.1
[M+K]+ 229.08634 139.3
[M+H-H2O]+ 173.12044 135.7
[M+HCOO]- 235.12138 156.7
[M+CH3COO]- 249.13703 175.3
[M+Na-2H]- 211.09785 149.6
[M]+ 190.12263 135.8
[M]- 190.12373 135.8
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.