CID 2756474

217313-79-6

Structural Information

Molecular Formula
C8H11N3
SMILES
C1=CC(=CC=C1CN)C(=N)N
InChI
InChI=1S/C8H11N3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5,9H2,(H3,10,11)
InChIKey
CHOGNBXWAZDZBM-UHFFFAOYSA-N
Compound name
4-(aminomethyl)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

1094
Patents

149.09529 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.10257 130.9
[M+Na]+ 172.08451 137.2
[M-H]- 148.08801 133.9
[M+NH4]+ 167.12911 150.7
[M+K]+ 188.05845 134.6
[M+H-H2O]+ 132.09255 124.7
[M+HCOO]- 194.09349 156.8
[M+CH3COO]- 208.10914 183.0
[M+Na-2H]- 170.06996 136.4
[M]+ 149.09474 125.2
[M]- 149.09584 125.2
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