CID 10930

Isovaleramide

Structural Information

Molecular Formula
C5H11NO
SMILES
CC(C)CC(=O)N
InChI
InChI=1S/C5H11NO/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H2,6,7)
InChIKey
SANOUVWGPVYVAV-UHFFFAOYSA-N
Compound name
3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

16
References

4512
Patents

101.08406 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.09134 120.9
[M+Na]+ 124.07328 130.0
[M+NH4]+ 119.11788 128.7
[M+K]+ 140.04722 125.9
[M-H]- 100.07678 120.5
[M+Na-2H]- 122.05873 124.2
[M]+ 101.08351 121.7
[M]- 101.08461 121.7
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