CID 12957

Pivalamide

Structural Information

Molecular Formula
C5H11NO
SMILES
CC(C)(C)C(=O)N
InChI
InChI=1S/C5H11NO/c1-5(2,3)4(6)7/h1-3H3,(H2,6,7)
InChIKey
XIPFMBOWZXULIA-UHFFFAOYSA-N
Compound name
2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

23
References

22228
Patents

101.08406 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.09134 120.4
[M+Na]+ 124.07328 127.9
[M-H]- 100.07678 120.8
[M+NH4]+ 119.11788 143.4
[M+K]+ 140.04722 128.2
[M+H-H2O]+ 84.081320 116.7
[M+HCOO]- 146.08226 142.9
[M+CH3COO]- 160.09791 169.6
[M+Na-2H]- 122.05873 126.6
[M]+ 101.08351 119.0
[M]- 101.08461 119.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe