CID 23560856

N-propyl-2-(propylamino)acetamide

Structural Information

Molecular Formula
C8H18N2O
SMILES
CCCNCC(=O)NCCC
InChI
InChI=1S/C8H18N2O/c1-3-5-9-7-8(11)10-6-4-2/h9H,3-7H2,1-2H3,(H,10,11)
InChIKey
QSARLKFZRYMYSR-UHFFFAOYSA-N
Compound name
N-propyl-2-(propylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

158.1419 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.149176 138.4
[M+Na]+ 181.131118 143.2
[M-H]- 157.134624 138.3
[M+NH4]+ 176.175723 158.8
[M+K]+ 197.105058 142.6
[M+H-H2O]+ 141.139160 132.7
[M+HCOO]- 203.140101 163.0
[M+CH3COO]- 217.155751 184.2
[M+Na-2H]- 179.116566 143.5
[M]+ 158.14135142 138.8
[M]- 158.14244858 138.8
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

patents stripe