CID 145867312

2375274-28-3

Structural Information

Molecular Formula
C15H21NO3
SMILES
CC(C)(C)OC(=O)N1CC(C2=CC=CC=C2C1)CO
InChI
InChI=1S/C15H21NO3/c1-15(2,3)19-14(18)16-8-11-6-4-5-7-13(11)12(9-16)10-17/h4-7,12,17H,8-10H2,1-3H3
InChIKey
LYBYMCFRGNYSOB-UHFFFAOYSA-N
Compound name
tert-butyl 4-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.15213 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.159406 162.7
[M+Na]+ 286.141348 168.8
[M-H]- 262.144854 164.0
[M+NH4]+ 281.185953 178.7
[M+K]+ 302.115288 166.2
[M+H-H2O]+ 246.149390 156.2
[M+HCOO]- 308.150331 177.7
[M+CH3COO]- 322.165981 194.5
[M+Na-2H]- 284.126796 166.8
[M]+ 263.15158142 162.4
[M]- 263.15267858 162.4
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

No patent data available for this compound.