CID 139026671

2302860-65-5

Structural Information

Molecular Formula
C15H19NO3
SMILES
CC(C)(C)OC(=O)N1CC(C2=CC=CC=C2C1)C=O
InChI
InChI=1S/C15H19NO3/c1-15(2,3)19-14(18)16-8-11-6-4-5-7-13(11)12(9-16)10-17/h4-7,10,12H,8-9H2,1-3H3
InChIKey
KXAUKCQSYITOOZ-UHFFFAOYSA-N
Compound name
tert-butyl 4-formyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1365 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.14378 160.7
[M+Na]+ 284.12572 167.5
[M-H]- 260.12922 163.4
[M+NH4]+ 279.17032 177.4
[M+K]+ 300.09966 165.1
[M+H-H2O]+ 244.13376 153.9
[M+HCOO]- 306.13470 177.4
[M+CH3COO]- 320.15035 196.1
[M+Na-2H]- 282.11117 165.3
[M]+ 261.13595 161.5
[M]- 261.13705 161.5
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.