CID 57869

100454-15-7

Structural Information

Molecular Formula
C12H21N3O2
SMILES
CCCCCCCNNC(=O)C1=NOC(=C1)C
InChI
InChI=1S/C12H21N3O2/c1-3-4-5-6-7-8-13-14-12(16)11-9-10(2)17-15-11/h9,13H,3-8H2,1-2H3,(H,14,16)
InChIKey
VOLLVHDZKFCEQK-UHFFFAOYSA-N
Compound name
N'-heptyl-5-methyl-1,2-oxazole-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.16338 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.17066 158.5
[M+Na]+ 262.15260 163.6
[M-H]- 238.15610 160.9
[M+NH4]+ 257.19720 174.7
[M+K]+ 278.12654 162.7
[M+H-H2O]+ 222.16064 150.6
[M+HCOO]- 284.16158 182.1
[M+CH3COO]- 298.17723 197.4
[M+Na-2H]- 260.13805 162.3
[M]+ 239.16283 161.5
[M]- 239.16393 161.5
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.