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
2
Annotation Hits

0
References

414
Patents

129.11537 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.122646 129.6
[M+Na]+ 152.104588 136.1
[M-H]- 128.108094 129.6
[M+NH4]+ 147.149193 151.4
[M+K]+ 168.078528 135.9
[M+H-H2O]+ 112.112630 125.4
[M+HCOO]- 174.113571 151.4
[M+CH3COO]- 188.129221 176.5
[M+Na-2H]- 150.090036 134.7
[M]+ 129.11482142 129.0
[M]- 129.11591858 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