CID 9578704

Valeric acid, 2-propyl-, 2-benzylidenehydrazide

Structural Information

Molecular Formula
C15H22N2O
SMILES
CCCC(CCC)C(=O)N/N=C/C1=CC=CC=C1
InChI
InChI=1S/C15H22N2O/c1-3-8-14(9-4-2)15(18)17-16-12-13-10-6-5-7-11-13/h5-7,10-12,14H,3-4,8-9H2,1-2H3,(H,17,18)/b16-12+
InChIKey
IGMPQULKTMYARM-FOWTUZBSSA-N
Compound name
N-[(E)-benzylideneamino]-2-propylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.17322 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.180496 161.6
[M+Na]+ 269.162438 165.2
[M-H]- 245.165944 165.5
[M+NH4]+ 264.207043 178.7
[M+K]+ 285.136378 162.9
[M+H-H2O]+ 229.170480 153.8
[M+HCOO]- 291.171421 186.3
[M+CH3COO]- 305.187071 202.5
[M+Na-2H]- 267.147886 165.0
[M]+ 246.17267142 162.6
[M]- 246.17376858 162.6
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.