CID 211206

Valeramide, n,n-dimethyl-2-propyl-

Structural Information

Molecular Formula
C10H21NO
SMILES
CCCC(CCC)C(=O)N(C)C
InChI
InChI=1S/C10H21NO/c1-5-7-9(8-6-2)10(12)11(3)4/h9H,5-8H2,1-4H3
InChIKey
FHUMZQPUJPSWLG-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-propylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

171.16231 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.169586 143.9
[M+Na]+ 194.151528 148.7
[M-H]- 170.155034 145.2
[M+NH4]+ 189.196133 164.8
[M+K]+ 210.125468 149.6
[M+H-H2O]+ 154.159570 138.4
[M+HCOO]- 216.160511 166.4
[M+CH3COO]- 230.176161 189.8
[M+Na-2H]- 192.136976 145.8
[M]+ 171.16176142 146.5
[M]- 171.16285858 146.5
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