CID 61179024

Methyl2-{[(3r)-1,2,3,4-tetrahydroisoquinolin-3-yl]formamido}acetatehydrochloride

Structural Information

Molecular Formula
C13H16N2O3
SMILES
COC(=O)CNC(=O)[C@H]1CC2=CC=CC=C2CN1
InChI
InChI=1S/C13H16N2O3/c1-18-12(16)8-15-13(17)11-6-9-4-2-3-5-10(9)7-14-11/h2-5,11,14H,6-8H2,1H3,(H,15,17)/t11-/m1/s1
InChIKey
FYYZIUMWEPPLFV-LLVKDONJSA-N
Compound name
methyl 2-[[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.11609 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12337 155.1
[M+Na]+ 271.10531 159.7
[M-H]- 247.10881 156.0
[M+NH4]+ 266.14991 170.7
[M+K]+ 287.07925 156.9
[M+H-H2O]+ 231.11335 147.8
[M+HCOO]- 293.11429 172.6
[M+CH3COO]- 307.12994 192.7
[M+Na-2H]- 269.09076 159.5
[M]+ 248.11554 152.2
[M]- 248.11664 152.2
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.