CID 320322

1-carboxysalsoline

Structural Information

Molecular Formula
C12H15NO4
SMILES
CC1(C2=CC(=C(C=C2CCN1)O)OC)C(=O)O
InChI
InChI=1S/C12H15NO4/c1-12(11(15)16)8-6-10(17-2)9(14)5-7(8)3-4-13-12/h5-6,13-14H,3-4H2,1-2H3,(H,15,16)
InChIKey
CJEFWISJWQNPSZ-UHFFFAOYSA-N
Compound name
6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-2H-isoquinoline-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

237.10011 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.10739 152.0
[M+Na]+ 260.08933 162.7
[M+NH4]+ 255.13393 159.8
[M+K]+ 276.06327 156.7
[M-H]- 236.09283 151.4
[M+Na-2H]- 258.07478 156.1
[M]+ 237.09956 153.2
[M]- 237.10066 153.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.