CID 45496606

1-(5-bromo-2-methylphenyl)guanidine

Structural Information

Molecular Formula
C8H10BrN3
SMILES
CC1=C(C=C(C=C1)Br)N=C(N)N
InChI
InChI=1S/C8H10BrN3/c1-5-2-3-6(9)4-7(5)12-8(10)11/h2-4H,1H3,(H4,10,11,12)
InChIKey
RGNCEPOKMMWWKC-UHFFFAOYSA-N
Compound name
2-(5-bromo-2-methylphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

227.00581 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.013086 141.4
[M+Na]+ 249.995028 151.7
[M-H]- 225.998534 148.1
[M+NH4]+ 245.039633 162.3
[M+K]+ 265.968968 140.0
[M+H-H2O]+ 210.003070 139.3
[M+HCOO]- 272.004011 165.6
[M+CH3COO]- 286.019661 195.6
[M+Na-2H]- 247.980476 147.2
[M]+ 227.00526142 156.1
[M]- 227.00635858 156.1
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