CID 53415233

1207175-15-2

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CC(C)(C)OC(=O)N1CCC2=CC=CC=C2C1CN
InChI
InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-9-8-11-6-4-5-7-12(11)13(17)10-16/h4-7,13H,8-10,16H2,1-3H3
InChIKey
VHKNZTWMVNWAOC-UHFFFAOYSA-N
Compound name
tert-butyl 1-(aminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

262.16812 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 163.7
[M+Na]+ 285.15734 169.5
[M-H]- 261.16084 165.8
[M+NH4]+ 280.20194 180.0
[M+K]+ 301.13128 166.8
[M+H-H2O]+ 245.16538 156.7
[M+HCOO]- 307.16632 180.4
[M+CH3COO]- 321.18197 199.2
[M+Na-2H]- 283.14279 167.6
[M]+ 262.16757 162.1
[M]- 262.16867 162.1
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