CID 208725

Valeramide, 2,2,4,4-tetramethyl-

Structural Information

Molecular Formula
C9H19NO
SMILES
CC(C)(C)CC(C)(C)C(=O)N
InChI
InChI=1S/C9H19NO/c1-8(2,3)6-9(4,5)7(10)11/h6H2,1-5H3,(H2,10,11)
InChIKey
AGCBBXPWJMYJGB-UHFFFAOYSA-N
Compound name
2,2,4,4-tetramethylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

157.14667 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.153946 137.7
[M+Na]+ 180.135888 143.9
[M-H]- 156.139394 137.7
[M+NH4]+ 175.180493 158.5
[M+K]+ 196.109828 143.7
[M+H-H2O]+ 140.143930 133.9
[M+HCOO]- 202.144871 157.3
[M+CH3COO]- 216.160521 182.3
[M+Na-2H]- 178.121336 142.6
[M]+ 157.14612142 137.3
[M]- 157.14721858 137.3
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