CID 18680129

371222-37-6

Structural Information

Molecular Formula
C15H19NO3
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC(=C2)C=O
InChI
InChI=1S/C15H19NO3/c1-15(2,3)19-14(18)16-7-6-12-8-11(10-17)4-5-13(12)9-16/h4-5,8,10H,6-7,9H2,1-3H3
InChIKey
DJCBGBZLKOFNPZ-UHFFFAOYSA-N
Compound name
tert-butyl 6-formyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

261.1365 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.14378 160.2
[M+Na]+ 284.12572 171.7
[M+NH4]+ 279.17032 167.3
[M+K]+ 300.09966 166.2
[M-H]- 260.12922 160.7
[M+Na-2H]- 282.11117 164.4
[M]+ 261.13595 161.9
[M]- 261.13705 161.9
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