CID 3071445

N-(morpholinomethyl)valnoctamide hydrochloride

Structural Information

Molecular Formula
C13H26N2O2
SMILES
CCC(C)C(CC)C(=O)NCN1CCOCC1
InChI
InChI=1S/C13H26N2O2/c1-4-11(3)12(5-2)13(16)14-10-15-6-8-17-9-7-15/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKey
MRJWCQCVEVGALU-UHFFFAOYSA-N
Compound name
2-ethyl-3-methyl-N-(morpholin-4-ylmethyl)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.19943 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.20671 163.3
[M+Na]+ 265.18865 164.6
[M-H]- 241.19215 164.3
[M+NH4]+ 260.23325 177.3
[M+K]+ 281.16259 165.0
[M+H-H2O]+ 225.19669 155.5
[M+HCOO]- 287.19763 178.6
[M+CH3COO]- 301.21328 197.1
[M+Na-2H]- 263.17410 163.8
[M]+ 242.19888 160.9
[M]- 242.19998 160.9
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.