CID 54280

4-guanidinomethylquinaldine hydrochloride

Structural Information

Molecular Formula
C12H14N4
SMILES
CC1=NC2=CC=CC=C2C(=C1)CN=C(N)N
InChI
InChI=1S/C12H14N4/c1-8-6-9(7-15-12(13)14)10-4-2-3-5-11(10)16-8/h2-6H,7H2,1H3,(H4,13,14,15)
InChIKey
IDCBTGRAIUUGTR-UHFFFAOYSA-N
Compound name
2-[(2-methylquinolin-4-yl)methyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.12184 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.12912 147.1
[M+Na]+ 237.11106 154.7
[M-H]- 213.11456 151.0
[M+NH4]+ 232.15566 165.1
[M+K]+ 253.08500 151.1
[M+H-H2O]+ 197.11910 139.4
[M+HCOO]- 259.12004 171.9
[M+CH3COO]- 273.13569 198.3
[M+Na-2H]- 235.09651 154.1
[M]+ 214.12129 144.6
[M]- 214.12239 144.6
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

No patent data available for this compound.