CID 200809

Valeramide, n-tert-butyl-2-propyl-

Structural Information

Molecular Formula
C12H25NO
SMILES
CCCC(CCC)C(=O)NC(C)(C)C
InChI
InChI=1S/C12H25NO/c1-6-8-10(9-7-2)11(14)13-12(3,4)5/h10H,6-9H2,1-5H3,(H,13,14)
InChIKey
OKLSRFBLQYAVGR-UHFFFAOYSA-N
Compound name
N-tert-butyl-2-propylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.19362 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.200896 152.7
[M+Na]+ 222.182838 157.1
[M-H]- 198.186344 152.5
[M+NH4]+ 217.227443 172.1
[M+K]+ 238.156778 156.5
[M+H-H2O]+ 182.190880 147.7
[M+HCOO]- 244.191821 172.5
[M+CH3COO]- 258.207471 191.8
[M+Na-2H]- 220.168286 155.0
[M]+ 199.19307142 154.3
[M]- 199.19416858 154.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.