CID 25764

13181-50-5

Structural Information

Molecular Formula
C9H11BrN2
SMILES
CN(C)C=NC1=CC=C(C=C1)Br
InChI
InChI=1S/C9H11BrN2/c1-12(2)7-11-9-5-3-8(10)4-6-9/h3-7H,1-2H3
InChIKey
OJKJZQJONGTMRZ-UHFFFAOYSA-N
Compound name
N'-(4-bromophenyl)-N,N-dimethylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.01056 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.01784 140.3
[M+Na]+ 248.99978 150.9
[M-H]- 225.00328 149.1
[M+NH4]+ 244.04438 162.8
[M+K]+ 264.97372 141.0
[M+H-H2O]+ 209.00782 138.8
[M+HCOO]- 271.00876 166.1
[M+CH3COO]- 285.02441 196.4
[M+Na-2H]- 246.98523 148.9
[M]+ 226.01001 159.7
[M]- 226.01111 159.7
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

No patent data available for this compound.