CID 3022208

N,n,2,2,4-pentamethylvaleramide

Structural Information

Molecular Formula
C10H21NO
SMILES
CC(C)CC(C)(C)C(=O)N(C)C
InChI
InChI=1S/C10H21NO/c1-8(2)7-10(3,4)9(12)11(5)6/h8H,7H2,1-6H3
InChIKey
DDOZFENEPXDBJR-UHFFFAOYSA-N
Compound name
N,N,2,2,4-pentamethylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

171.16231 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.169586 141.8
[M+Na]+ 194.151528 147.2
[M-H]- 170.155034 143.5
[M+NH4]+ 189.196133 162.9
[M+K]+ 210.125468 148.5
[M+H-H2O]+ 154.159570 137.1
[M+HCOO]- 216.160511 162.8
[M+CH3COO]- 230.176161 190.1
[M+Na-2H]- 192.136976 144.6
[M]+ 171.16176142 144.0
[M]- 171.16285858 144.0
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

patents stripe