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]+ 234.14887 155.1
[M+Na]+ 256.13081 160.7
[M-H]- 232.13431 156.2
[M+NH4]+ 251.17541 172.0
[M+K]+ 272.10475 157.7
[M+H-H2O]+ 216.13885 148.6
[M+HCOO]- 278.13979 170.2
[M+CH3COO]- 292.15544 188.8
[M+Na-2H]- 254.11626 160.3
[M]+ 233.14104 152.6
[M]- 233.14214 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