CID 162552

46286-45-7

Structural Information

Molecular Formula
C10H13N3O
SMILES
C1CN(CC2=C1C=CC=C2O)C(=N)N
InChI
InChI=1S/C10H13N3O/c11-10(12)13-5-4-7-2-1-3-9(14)8(7)6-13/h1-3,14H,4-6H2,(H3,11,12)
InChIKey
GNHPFQJFGPVJNU-UHFFFAOYSA-N
Compound name
8-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

191.10587 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.11315 140.5
[M+Na]+ 214.09509 146.7
[M-H]- 190.09859 141.7
[M+NH4]+ 209.13969 158.3
[M+K]+ 230.06903 143.2
[M+H-H2O]+ 174.10313 133.8
[M+HCOO]- 236.10407 159.8
[M+CH3COO]- 250.11972 185.6
[M+Na-2H]- 212.08054 146.2
[M]+ 191.10532 133.8
[M]- 191.10642 133.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe