CID 65263159

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

Structural Information

Molecular Formula
C14H19NO2
SMILES
CC(C)(C)OC(=O)C1CNCC2=CC=CC=C12
InChI
InChI=1S/C14H19NO2/c1-14(2,3)17-13(16)12-9-15-8-10-6-4-5-7-11(10)12/h4-7,12,15H,8-9H2,1-3H3
InChIKey
KYSSUBYNEALTEJ-UHFFFAOYSA-N
Compound name
tert-butyl 1,2,3,4-tetrahydroisoquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

233.14159 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.148866 155.1
[M+Na]+ 256.130808 160.7
[M-H]- 232.134314 156.2
[M+NH4]+ 251.175413 172.0
[M+K]+ 272.104748 157.7
[M+H-H2O]+ 216.138850 148.6
[M+HCOO]- 278.139791 170.2
[M+CH3COO]- 292.155441 188.8
[M+Na-2H]- 254.116256 160.3
[M]+ 233.14104142 152.6
[M]- 233.14213858 152.6
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