CID 57423969

1065066-61-6

Structural Information

Molecular Formula
C11H13NO2
SMILES
CN1CCC2=C(C1)C=CC(=C2)C(=O)O
InChI
InChI=1S/C11H13NO2/c1-12-5-4-8-6-9(11(13)14)2-3-10(8)7-12/h2-3,6H,4-5,7H2,1H3,(H,13,14)
InChIKey
OKGBKFZVWAOWLI-UHFFFAOYSA-N
Compound name
2-methyl-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

191.09464 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 140.3
[M+Na]+ 214.08386 147.6
[M-H]- 190.08736 141.9
[M+NH4]+ 209.12846 159.0
[M+K]+ 230.05780 144.7
[M+H-H2O]+ 174.09190 133.9
[M+HCOO]- 236.09284 158.0
[M+CH3COO]- 250.10849 181.9
[M+Na-2H]- 212.06931 145.7
[M]+ 191.09409 137.8
[M]- 191.09519 137.8
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

patents stripe