CID 53021

Isovaleric acid, 2-(p-bromophenyl)hydrazide

Structural Information

Molecular Formula
C11H15BrN2O
SMILES
CC(C)CC(=O)NNC1=CC=C(C=C1)Br
InChI
InChI=1S/C11H15BrN2O/c1-8(2)7-11(15)14-13-10-5-3-9(12)4-6-10/h3-6,8,13H,7H2,1-2H3,(H,14,15)
InChIKey
UCGFWLWQVLRSCI-UHFFFAOYSA-N
Compound name
N'-(4-bromophenyl)-3-methylbutanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

270.03677 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.04405 154.6
[M+Na]+ 293.02599 162.9
[M-H]- 269.02949 160.2
[M+NH4]+ 288.07059 173.7
[M+K]+ 308.99993 151.6
[M+H-H2O]+ 253.03403 152.7
[M+HCOO]- 315.03497 176.0
[M+CH3COO]- 329.05062 199.8
[M+Na-2H]- 291.01144 159.7
[M]+ 270.03622 171.7
[M]- 270.03732 171.7
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