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]+ 194.117556 142.8
[M+Na]+ 216.099498 151.4
[M-H]- 192.103004 142.4
[M+NH4]+ 211.144103 162.6
[M+K]+ 232.073438 147.1
[M+H-H2O]+ 176.107540 137.8
[M+HCOO]- 238.108481 158.3
[M+CH3COO]- 252.124131 177.6
[M+Na-2H]- 214.084946 148.9
[M]+ 193.10973142 138.8
[M]- 193.11082858 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.