CID 200759

Valeramide, n,n-diisopropyl-2-propyl-

Structural Information

Molecular Formula
C14H29NO
SMILES
CCCC(CCC)C(=O)N(C(C)C)C(C)C
InChI
InChI=1S/C14H29NO/c1-7-9-13(10-8-2)14(16)15(11(3)4)12(5)6/h11-13H,7-10H2,1-6H3
InChIKey
KKUPUFSKTUODSJ-UHFFFAOYSA-N
Compound name
N,N-di(propan-2-yl)-2-propylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.22491 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.232186 162.5
[M+Na]+ 250.214128 165.4
[M-H]- 226.217634 163.3
[M+NH4]+ 245.258733 181.1
[M+K]+ 266.188068 166.2
[M+H-H2O]+ 210.222170 156.5
[M+HCOO]- 272.223111 181.7
[M+CH3COO]- 286.238761 203.6
[M+Na-2H]- 248.199576 159.8
[M]+ 227.22436142 165.4
[M]- 227.22545858 165.4
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.