CID 23291925

3-bromo-4-methyl-n-(propan-2-yl)aniline

Structural Information

Molecular Formula
C10H14BrN
SMILES
CC1=C(C=C(C=C1)NC(C)C)Br
InChI
InChI=1S/C10H14BrN/c1-7(2)12-9-5-4-8(3)10(11)6-9/h4-7,12H,1-3H3
InChIKey
OAIZUIJUSWRJEM-UHFFFAOYSA-N
Compound name
3-bromo-4-methyl-N-propan-2-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

227.03096 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.03824 143.5
[M+Na]+ 250.02018 154.3
[M-H]- 226.02368 150.0
[M+NH4]+ 245.06478 165.4
[M+K]+ 265.99412 143.2
[M+H-H2O]+ 210.02822 143.2
[M+HCOO]- 272.02916 165.1
[M+CH3COO]- 286.04481 192.2
[M+Na-2H]- 248.00563 149.7
[M]+ 227.03041 161.6
[M]- 227.03151 161.6
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