CID 5289290

3-(carboxyamide(2-carboxyamide-2-tertbutylethyl))pentan

Structural Information

Molecular Formula
C13H26N2O2
SMILES
CCC(CC)NC(=O)C[C@@H](C(=O)N)C(C)(C)C
InChI
InChI=1S/C13H26N2O2/c1-6-9(7-2)15-11(16)8-10(12(14)17)13(3,4)5/h9-10H,6-8H2,1-5H3,(H2,14,17)(H,15,16)/t10-/m0/s1
InChIKey
UVHRROJQACYJNP-JTQLQIEISA-N
Compound name
(2R)-2-tert-butyl-N'-pentan-3-ylbutanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.19943 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.20671 163.2
[M+Na]+ 265.18865 166.0
[M-H]- 241.19215 162.3
[M+NH4]+ 260.23325 179.9
[M+K]+ 281.16259 165.9
[M+H-H2O]+ 225.19669 157.5
[M+HCOO]- 287.19763 181.5
[M+CH3COO]- 301.21328 202.1
[M+Na-2H]- 263.17410 161.7
[M]+ 242.19888 162.6
[M]- 242.19998 162.6
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

No patent data available for this compound.