CID 167717445

4-bromo-6-ethynyl-2,3-dimethylaniline

Structural Information

Molecular Formula
C10H10BrN
SMILES
CC1=C(C=C(C(=C1C)N)C#C)Br
InChI
InChI=1S/C10H10BrN/c1-4-8-5-9(11)6(2)7(3)10(8)12/h1,5H,12H2,2-3H3
InChIKey
JPLXJKSFQBCBJU-UHFFFAOYSA-N
Compound name
4-bromo-6-ethynyl-2,3-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.99966 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.00694 139.0
[M+Na]+ 245.98888 154.0
[M-H]- 221.99238 143.0
[M+NH4]+ 241.03348 158.8
[M+K]+ 261.96282 141.2
[M+H-H2O]+ 205.99692 133.2
[M+HCOO]- 267.99786 157.7
[M+CH3COO]- 282.01351 198.4
[M+Na-2H]- 243.97433 143.4
[M]+ 222.99911 149.9
[M]- 223.00021 149.9
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.