CID 15112489

Tert-butyl 1,2,3,4-tetrahydroisoquinoline-2-carboxylate

Structural Information

Molecular Formula
C14H19NO2
SMILES
CC(C)(C)OC(=O)N1CCC2=CC=CC=C2C1
InChI
InChI=1S/C14H19NO2/c1-14(2,3)17-13(16)15-9-8-11-6-4-5-7-12(11)10-15/h4-7H,8-10H2,1-3H3
InChIKey
HTDOHIVUPFBSNR-UHFFFAOYSA-N
Compound name
tert-butyl 3,4-dihydro-1H-isoquinoline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

296
Patents

233.14159 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 154.8
[M+Na]+ 256.13081 160.9
[M-H]- 232.13431 157.3
[M+NH4]+ 251.17541 172.5
[M+K]+ 272.10475 158.8
[M+H-H2O]+ 216.13885 148.0
[M+HCOO]- 278.13979 171.4
[M+CH3COO]- 292.15544 190.7
[M+Na-2H]- 254.11626 160.5
[M]+ 233.14104 154.1
[M]- 233.14214 154.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe