CID 83180

2,2-dimethylvaleramide

Structural Information

Molecular Formula
C7H15NO
SMILES
CCCC(C)(C)C(=O)N
InChI
InChI=1S/C7H15NO/c1-4-5-7(2,3)6(8)9/h4-5H2,1-3H3,(H2,8,9)
InChIKey
CDMRYARHYKNFLS-UHFFFAOYSA-N
Compound name
2,2-dimethylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

410
Patents

129.11537 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.12265 129.6
[M+Na]+ 152.10459 136.1
[M-H]- 128.10809 129.6
[M+NH4]+ 147.14919 151.4
[M+K]+ 168.07853 135.9
[M+H-H2O]+ 112.11263 125.4
[M+HCOO]- 174.11357 151.4
[M+CH3COO]- 188.12922 176.5
[M+Na-2H]- 150.09004 134.7
[M]+ 129.11482 129.0
[M]- 129.11592 129.0
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