CID 3041923

Isoquinoline, 1-amino-3-tert-butyl-

Structural Information

Molecular Formula
C13H16N2
SMILES
CC(C)(C)C1=CC2=CC=CC=C2C(=N1)N
InChI
InChI=1S/C13H16N2/c1-13(2,3)11-8-9-6-4-5-7-10(9)12(14)15-11/h4-8H,1-3H3,(H2,14,15)
InChIKey
BXWSZTOFUTUGKG-UHFFFAOYSA-N
Compound name
3-tert-butylisoquinolin-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

200.13135 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.13863 146.4
[M+Na]+ 223.12057 155.2
[M-H]- 199.12407 149.5
[M+NH4]+ 218.16517 165.5
[M+K]+ 239.09451 151.4
[M+H-H2O]+ 183.12861 139.9
[M+HCOO]- 245.12955 167.1
[M+CH3COO]- 259.14520 189.6
[M+Na-2H]- 221.10602 154.3
[M]+ 200.13080 145.5
[M]- 200.13190 145.5
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