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]+ 228.23219 162.5
[M+Na]+ 250.21413 165.4
[M-H]- 226.21763 163.3
[M+NH4]+ 245.25873 181.1
[M+K]+ 266.18807 166.2
[M+H-H2O]+ 210.22217 156.5
[M+HCOO]- 272.22311 181.7
[M+CH3COO]- 286.23876 203.6
[M+Na-2H]- 248.19958 159.8
[M]+ 227.22436 165.4
[M]- 227.22546 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.