CID 3024321

2-ethyl-n,n,3-trimethylvaleramide

Structural Information

Molecular Formula
C10H21NO
SMILES
CCC(C)C(CC)C(=O)N(C)C
InChI
InChI=1S/C10H21NO/c1-6-8(3)9(7-2)10(12)11(4)5/h8-9H,6-7H2,1-5H3
InChIKey
XREQPOSOCDVJEU-UHFFFAOYSA-N
Compound name
2-ethyl-N,N,3-trimethylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.16231 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.169586 143.8
[M+Na]+ 194.151528 148.5
[M-H]- 170.155034 145.2
[M+NH4]+ 189.196133 164.7
[M+K]+ 210.125468 149.8
[M+H-H2O]+ 154.159570 138.4
[M+HCOO]- 216.160511 165.3
[M+CH3COO]- 230.176161 190.7
[M+Na-2H]- 192.136976 144.5
[M]+ 171.16176142 145.8
[M]- 171.16285858 145.8
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.