CID 22671

Nsc 33537

Structural Information

Molecular Formula
C14H22NO2
SMILES
CC1CC2=CC(=C(C=C2C[N+]1(C)C)OC)OC
InChI
InChI=1S/C14H22NO2/c1-10-6-11-7-13(16-4)14(17-5)8-12(11)9-15(10,2)3/h7-8,10H,6,9H2,1-5H3/q+1
InChIKey
NSELGBXODFVKAI-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-2,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-2-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.16505 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.17233 152.4
[M+Na]+ 259.15427 161.4
[M-H]- 235.15777 156.2
[M+NH4]+ 254.19887 172.8
[M+K]+ 275.12821 153.5
[M+H-H2O]+ 219.16231 148.9
[M+HCOO]- 281.16325 170.9
[M+CH3COO]- 295.17890 188.6
[M+Na-2H]- 257.13972 159.9
[M]+ 236.16450 153.5
[M]- 236.16560 153.5
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.