CID 9576873

2-(2-cyclohexylethylhydrazono)propionic acid

Structural Information

Molecular Formula
C11H20N2O2
SMILES
C/C(=N\NCCC1CCCCC1)/C(=O)O
InChI
InChI=1S/C11H20N2O2/c1-9(11(14)15)13-12-8-7-10-5-3-2-4-6-10/h10,12H,2-8H2,1H3,(H,14,15)/b13-9+
InChIKey
IPGKROMWTLUUOT-UKTHLTGXSA-N
Compound name
(2E)-2-(2-cyclohexylethylhydrazinylidene)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

212.15248 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.15976 150.6
[M+Na]+ 235.14170 152.3
[M-H]- 211.14520 152.6
[M+NH4]+ 230.18630 167.9
[M+K]+ 251.11564 151.3
[M+H-H2O]+ 195.14974 143.7
[M+HCOO]- 257.15068 170.9
[M+CH3COO]- 271.16633 191.7
[M+Na-2H]- 233.12715 152.8
[M]+ 212.15193 145.4
[M]- 212.15303 145.4
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