CID 18489

3166-49-2

Structural Information

Molecular Formula
C12H17BrN2O2
SMILES
CCC(CC)(C(=O)NNC1=CC=C(C=C1)Br)O
InChI
InChI=1S/C12H17BrN2O2/c1-3-12(17,4-2)11(16)15-14-10-7-5-9(13)6-8-10/h5-8,14,17H,3-4H2,1-2H3,(H,15,16)
InChIKey
AKMFGXGYJSSDKL-UHFFFAOYSA-N
Compound name
N'-(4-bromophenyl)-2-ethyl-2-hydroxybutanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.04733 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.05461 162.0
[M+Na]+ 323.03655 170.0
[M-H]- 299.04005 166.3
[M+NH4]+ 318.08115 179.4
[M+K]+ 339.01049 158.0
[M+H-H2O]+ 283.04459 160.3
[M+HCOO]- 345.04553 181.3
[M+CH3COO]- 359.06118 201.8
[M+Na-2H]- 321.02200 168.0
[M]+ 300.04678 179.1
[M]- 300.04788 179.1
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.