CID 9456

321-73-3

Structural Information

Molecular Formula
C8H11N3
SMILES
CN(C1=CC=CC=C1)C(=N)N
InChI
InChI=1S/C8H11N3/c1-11(8(9)10)7-5-3-2-4-6-7/h2-6H,1H3,(H3,9,10)
InChIKey
DSJVSLJDQPTJSK-UHFFFAOYSA-N
Compound name
1-methyl-1-phenylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

149.09529 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.102566 131.3
[M+Na]+ 172.084508 136.8
[M-H]- 148.088014 136.0
[M+NH4]+ 167.129113 151.8
[M+K]+ 188.058448 136.0
[M+H-H2O]+ 132.092550 124.6
[M+HCOO]- 194.093491 158.3
[M+CH3COO]- 208.109141 185.1
[M+Na-2H]- 170.069956 137.8
[M]+ 149.09474142 127.4
[M]- 149.09583858 127.4
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