CID 6918293

Valrocemide

Structural Information

Molecular Formula
C10H20N2O2
SMILES
CCCC(CCC)C(=O)NCC(=O)N
InChI
InChI=1S/C10H20N2O2/c1-3-5-8(6-4-2)10(14)12-7-9(11)13/h8H,3-7H2,1-2H3,(H2,11,13)(H,12,14)
InChIKey
RALGCAOVRLYSMA-UHFFFAOYSA-N
Compound name
N-(2-amino-2-oxoethyl)-2-propylpentanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

283
Patents

200.15248 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.159756 150.7
[M+Na]+ 223.141698 154.4
[M-H]- 199.145204 149.8
[M+NH4]+ 218.186303 168.8
[M+K]+ 239.115638 153.9
[M+H-H2O]+ 183.149740 144.5
[M+HCOO]- 245.150681 172.4
[M+CH3COO]- 259.166331 192.5
[M+Na-2H]- 221.127146 151.0
[M]+ 200.15193142 150.2
[M]- 200.15302858 150.2
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

patents stripe