CID 53417464

1919023-07-6

Structural Information

Molecular Formula
C8H9BrN2
SMILES
CC1=C(C=C(C=C1)C(=N)N)Br
InChI
InChI=1S/C8H9BrN2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H3,10,11)
InChIKey
AESSQVPLSCJPIN-UHFFFAOYSA-N
Compound name
3-bromo-4-methylbenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

211.9949 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.002176 137.7
[M+Na]+ 234.984118 148.5
[M-H]- 210.987624 143.8
[M+NH4]+ 230.028723 159.2
[M+K]+ 250.958058 136.6
[M+H-H2O]+ 194.992160 136.8
[M+HCOO]- 256.993101 160.2
[M+CH3COO]- 271.008751 189.7
[M+Na-2H]- 232.969566 143.9
[M]+ 211.99435142 152.6
[M]- 211.99544858 152.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe