CID 21888155

1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid

Structural Information

Molecular Formula
C10H11NO2
SMILES
C1CNCC2=C1C=C(C=C2)C(=O)O
InChI
InChI=1S/C10H11NO2/c12-10(13)8-1-2-9-6-11-4-3-7(9)5-8/h1-2,5,11H,3-4,6H2,(H,12,13)
InChIKey
QEMYLDYQDFRTRT-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

177.07898 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08626 136.4
[M+Na]+ 200.06820 142.8
[M-H]- 176.07170 136.4
[M+NH4]+ 195.11280 154.6
[M+K]+ 216.04214 139.2
[M+H-H2O]+ 160.07624 130.3
[M+HCOO]- 222.07718 152.9
[M+CH3COO]- 236.09283 175.2
[M+Na-2H]- 198.05365 142.5
[M]+ 177.07843 131.3
[M]- 177.07953 131.3
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

patents stripe