CID 3076294

130688-31-2

Structural Information

Molecular Formula
C10H12N2O2
SMILES
C1CCC2=C(C(=NC=C2C1)N)C(=O)O
InChI
InChI=1S/C10H12N2O2/c11-9-8(10(13)14)7-4-2-1-3-6(7)5-12-9/h5H,1-4H2,(H2,11,12)(H,13,14)
InChIKey
VZRCUHMQWPZOEL-UHFFFAOYSA-N
Compound name
3-amino-5,6,7,8-tetrahydroisoquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

192.08987 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.09715 140.0
[M+Na]+ 215.07909 146.9
[M-H]- 191.08259 141.2
[M+NH4]+ 210.12369 158.0
[M+K]+ 231.05303 143.9
[M+H-H2O]+ 175.08713 133.5
[M+HCOO]- 237.08807 158.4
[M+CH3COO]- 251.10372 183.3
[M+Na-2H]- 213.06454 145.3
[M]+ 192.08932 135.5
[M]- 192.09042 135.5
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.