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

70
Patents

261.1365 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.143776 160.7
[M+Na]+ 284.125718 167.5
[M-H]- 260.129224 163.4
[M+NH4]+ 279.170323 177.4
[M+K]+ 300.099658 165.1
[M+H-H2O]+ 244.133760 153.9
[M+HCOO]- 306.134701 177.4
[M+CH3COO]- 320.150351 196.1
[M+Na-2H]- 282.111166 165.3
[M]+ 261.13595142 161.5
[M]- 261.13704858 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

patents stripe