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]+ 264.15941 162.7
[M+Na]+ 286.14135 168.8
[M-H]- 262.14485 164.0
[M+NH4]+ 281.18595 178.7
[M+K]+ 302.11529 166.2
[M+H-H2O]+ 246.14939 156.2
[M+HCOO]- 308.15033 177.7
[M+CH3COO]- 322.16598 194.5
[M+Na-2H]- 284.12680 166.8
[M]+ 263.15158 162.4
[M]- 263.15268 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.