CID 45097473

5-bromo-2-methoxy-4-methylaniline

Structural Information

Molecular Formula
C8H10BrNO
SMILES
CC1=CC(=C(C=C1Br)N)OC
InChI
InChI=1S/C8H10BrNO/c1-5-3-8(11-2)7(10)4-6(5)9/h3-4H,10H2,1-2H3
InChIKey
CQTXKFAOECJJFM-UHFFFAOYSA-N
Compound name
5-bromo-2-methoxy-4-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

214.99458 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.00186 136.9
[M+Na]+ 237.98380 149.4
[M-H]- 213.98730 143.4
[M+NH4]+ 233.02840 159.2
[M+K]+ 253.95774 138.5
[M+H-H2O]+ 197.99184 136.7
[M+HCOO]- 259.99278 159.5
[M+CH3COO]- 274.00843 188.1
[M+Na-2H]- 235.96925 143.6
[M]+ 214.99403 155.6
[M]- 214.99513 155.6
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