CID 101044

N-ethyl-2-isopropyl-2,4-dimethylvaleramide

Structural Information

Molecular Formula
C12H25NO
SMILES
CCNC(=O)C(C)(CC(C)C)C(C)C
InChI
InChI=1S/C12H25NO/c1-7-13-11(14)12(6,10(4)5)8-9(2)3/h9-10H,7-8H2,1-6H3,(H,13,14)
InChIKey
TXZSLZLHRVGMMP-UHFFFAOYSA-N
Compound name
N-ethyl-2,4-dimethyl-2-propan-2-ylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

199.19362 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.200896 152.1
[M+Na]+ 222.182838 156.3
[M-H]- 198.186344 152.0
[M+NH4]+ 217.227443 171.4
[M+K]+ 238.156778 156.1
[M+H-H2O]+ 182.190880 147.3
[M+HCOO]- 244.191821 171.0
[M+CH3COO]- 258.207471 193.4
[M+Na-2H]- 220.168286 153.2
[M]+ 199.19307142 153.2
[M]- 199.19416858 153.2
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