CID 23814

7355-60-4

Structural Information

Molecular Formula
C11H14NO2
SMILES
CC1CC2=CC(=C(C=C2C=[N+]1C)O)O
InChI
InChI=1S/C11H13NO2/c1-7-3-8-4-10(13)11(14)5-9(8)6-12(7)2/h4-7,14H,3H2,1-2H3/p+1
InChIKey
KQOMFUNHSRFDAV-UHFFFAOYSA-O
Compound name
2,3-dimethyl-3,4-dihydroisoquinolin-2-ium-6,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.10245 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.10973 141.3
[M+Na]+ 215.09167 150.9
[M-H]- 191.09517 143.0
[M+NH4]+ 210.13627 159.9
[M+K]+ 231.06561 141.7
[M+H-H2O]+ 175.09971 138.3
[M+HCOO]- 237.10065 159.4
[M+CH3COO]- 251.11630 174.5
[M+Na-2H]- 213.07712 149.3
[M]+ 192.10190 139.3
[M]- 192.10300 139.3
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.