CID 4340007

848848-16-8

Structural Information

Molecular Formula
C9H12BrNO
SMILES
CN(C)CC1=C(C=CC(=C1)O)Br
InChI
InChI=1S/C9H12BrNO/c1-11(2)6-7-5-8(12)3-4-9(7)10/h3-5,12H,6H2,1-2H3
InChIKey
ZOJBOFJPDLZFEG-UHFFFAOYSA-N
Compound name
4-bromo-3-[(dimethylamino)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

229.01022 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.01750 141.7
[M+Na]+ 251.99944 152.8
[M-H]- 228.00294 148.3
[M+NH4]+ 247.04404 163.4
[M+K]+ 267.97338 142.4
[M+H-H2O]+ 212.00748 141.3
[M+HCOO]- 274.00842 163.8
[M+CH3COO]- 288.02407 191.3
[M+Na-2H]- 249.98489 148.4
[M]+ 229.00967 160.8
[M]- 229.01077 160.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe