CID 40806299

2824986-70-9

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]+ 235.107726 150.6
[M+Na]+ 257.089668 155.1
[M-H]- 233.093174 150.2
[M+NH4]+ 252.134273 165.9
[M+K]+ 273.063608 151.7
[M+H-H2O]+ 217.097710 143.7
[M+HCOO]- 279.098651 166.8
[M+CH3COO]- 293.114301 188.0
[M+Na-2H]- 255.075116 155.0
[M]+ 234.09990142 145.5
[M]- 234.10099858 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.