CID 101047

N-ethyl-2,2,4-trimethylpentanamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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 143.2
[M+Na]+ 194.151528 148.3
[M-H]- 170.155034 143.3
[M+NH4]+ 189.196133 163.6
[M+K]+ 210.125468 148.2
[M+H-H2O]+ 154.159570 138.5
[M+HCOO]- 216.160511 163.6
[M+CH3COO]- 230.176161 186.5
[M+Na-2H]- 192.136976 146.5
[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