CID 3024320

N,2-diethyl-3-methylvaleramide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 144.7
[M+Na]+ 194.151528 149.1
[M-H]- 170.155034 144.5
[M+NH4]+ 189.196133 164.9
[M+K]+ 210.125468 149.1
[M+H-H2O]+ 154.159570 139.4
[M+HCOO]- 216.160511 165.6
[M+CH3COO]- 230.176161 187.0
[M+Na-2H]- 192.136976 146.0
[M]+ 171.16176142 145.4
[M]- 171.16285858 145.4
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.