CID 211203

Valeramide, n-allyl-2-propyl-

Structural Information

Molecular Formula
C11H21NO
SMILES
CCCC(CCC)C(=O)NCC=C
InChI
InChI=1S/C11H21NO/c1-4-7-10(8-5-2)11(13)12-9-6-3/h6,10H,3-5,7-9H2,1-2H3,(H,12,13)
InChIKey
RRSWPFXXIOCGSK-UHFFFAOYSA-N
Compound name
N-prop-2-enyl-2-propylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.16231 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.169586 147.4
[M+Na]+ 206.151528 151.9
[M-H]- 182.155034 146.9
[M+NH4]+ 201.196133 167.0
[M+K]+ 222.125468 150.5
[M+H-H2O]+ 166.159570 141.8
[M+HCOO]- 228.160511 169.2
[M+CH3COO]- 242.176161 188.3
[M+Na-2H]- 204.136976 149.4
[M]+ 183.16176142 148.4
[M]- 183.16285858 148.4
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.