CID 43808489

Methyl n-(1,2,3,4-tetrahydroisoquinolin-5-yl)carbamate hydrochloride

Structural Information

Molecular Formula
C11H14N2O2
SMILES
COC(=O)NC1=CC=CC2=C1CCNC2
InChI
InChI=1S/C11H14N2O2/c1-15-11(14)13-10-4-2-3-8-7-12-6-5-9(8)10/h2-4,12H,5-7H2,1H3,(H,13,14)
InChIKey
FAURJKZTWDABDM-UHFFFAOYSA-N
Compound name
methyl N-(1,2,3,4-tetrahydroisoquinolin-5-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

206.10553 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.112806 144.2
[M+Na]+ 229.094748 149.8
[M-H]- 205.098254 145.4
[M+NH4]+ 224.139353 161.7
[M+K]+ 245.068688 146.9
[M+H-H2O]+ 189.102790 137.2
[M+HCOO]- 251.103731 163.0
[M+CH3COO]- 265.119381 184.3
[M+Na-2H]- 227.080196 150.7
[M]+ 206.10498142 140.4
[M]- 206.10607858 140.4
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