CID 3076295

Brn 4312759

Structural Information

Molecular Formula
C10H13N3O
SMILES
C1CCC2=C(C(=NC=C2C1)N)C(=O)N
InChI
InChI=1S/C10H13N3O/c11-9-8(10(12)14)7-4-2-1-3-6(7)5-13-9/h5H,1-4H2,(H2,11,13)(H2,12,14)
InChIKey
ZQODGTWOPUEWJO-UHFFFAOYSA-N
Compound name
3-amino-5,6,7,8-tetrahydroisoquinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.10587 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.11315 140.4
[M+Na]+ 214.09509 150.9
[M+NH4]+ 209.13969 148.6
[M+K]+ 230.06903 145.6
[M-H]- 190.09859 143.0
[M+Na-2H]- 212.08054 145.3
[M]+ 191.10532 142.3
[M]- 191.10642 142.3
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.