CID 211202

Valeramide, n-isobutyl-2-propyl-

Structural Information

Molecular Formula
C12H25NO
SMILES
CCCC(CCC)C(=O)NCC(C)C
InChI
InChI=1S/C12H25NO/c1-5-7-11(8-6-2)12(14)13-9-10(3)4/h10-11H,5-9H2,1-4H3,(H,13,14)
InChIKey
NYNDHQLCFINTDP-UHFFFAOYSA-N
Compound name
N-(2-methylpropyl)-2-propylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.19362 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.20090 154.0
[M+Na]+ 222.18284 157.6
[M-H]- 198.18634 153.5
[M+NH4]+ 217.22744 173.1
[M+K]+ 238.15678 157.0
[M+H-H2O]+ 182.19088 148.3
[M+HCOO]- 244.19182 174.3
[M+CH3COO]- 258.20747 193.1
[M+Na-2H]- 220.16829 154.2
[M]+ 199.19307 155.4
[M]- 199.19417 155.4
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.