CID 51609

72511-89-8

Structural Information

Molecular Formula
C11H15NO2
SMILES
CC1(C2=C(C=C(C=C2)O)C(CN1)O)C
InChI
InChI=1S/C11H15NO2/c1-11(2)9-4-3-7(13)5-8(9)10(14)6-12-11/h3-5,10,12-14H,6H2,1-2H3
InChIKey
DYDMSZRVMZSWQR-UHFFFAOYSA-N
Compound name
1,1-dimethyl-3,4-dihydro-2H-isoquinoline-4,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.11028 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 142.8
[M+Na]+ 216.09950 151.4
[M-H]- 192.10300 142.4
[M+NH4]+ 211.14410 162.6
[M+K]+ 232.07344 147.1
[M+H-H2O]+ 176.10754 137.8
[M+HCOO]- 238.10848 158.3
[M+CH3COO]- 252.12413 177.6
[M+Na-2H]- 214.08495 148.9
[M]+ 193.10973 138.8
[M]- 193.11083 138.8
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.