CID 40806299

2-{[(3r)-1,2,3,4-tetrahydroisoquinolin-3-yl]formamido}aceticacidhydrochloride

Structural Information

Molecular Formula
C12H14N2O3
SMILES
C1[C@@H](NCC2=CC=CC=C21)C(=O)NCC(=O)O
InChI
InChI=1S/C12H14N2O3/c15-11(16)7-14-12(17)10-5-8-3-1-2-4-9(8)6-13-10/h1-4,10,13H,5-7H2,(H,14,17)(H,15,16)/t10-/m1/s1
InChIKey
NZWOEKJFEMNONQ-SNVBAGLBSA-N
Compound name
2-[[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.10045 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.10773 150.6
[M+Na]+ 257.08967 155.1
[M-H]- 233.09317 150.2
[M+NH4]+ 252.13427 165.9
[M+K]+ 273.06361 151.7
[M+H-H2O]+ 217.09771 143.7
[M+HCOO]- 279.09865 166.8
[M+CH3COO]- 293.11430 188.0
[M+Na-2H]- 255.07512 155.0
[M]+ 234.09990 145.5
[M]- 234.10100 145.5
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.