CID 46434

2-isopropylbutyramide

Structural Information

Molecular Formula
C7H15NO
SMILES
CCC(C(C)C)C(=O)N
InChI
InChI=1S/C7H15NO/c1-4-6(5(2)3)7(8)9/h5-6H,4H2,1-3H3,(H2,8,9)
InChIKey
MIWKMBLORLMHOJ-UHFFFAOYSA-N
Compound name
2-ethyl-3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

418
Patents

129.11537 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.12265 131.0
[M+Na]+ 152.10459 136.6
[M-H]- 128.10809 130.8
[M+NH4]+ 147.14919 152.5
[M+K]+ 168.07853 136.9
[M+H-H2O]+ 112.11263 126.2
[M+HCOO]- 174.11357 152.3
[M+CH3COO]- 188.12922 178.0
[M+Na-2H]- 150.09004 132.8
[M]+ 129.11482 129.5
[M]- 129.11592 129.5
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