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

9
Patents

158.1419 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.14918 138.4
[M+Na]+ 181.13112 143.2
[M-H]- 157.13462 138.3
[M+NH4]+ 176.17572 158.8
[M+K]+ 197.10506 142.6
[M+H-H2O]+ 141.13916 132.7
[M+HCOO]- 203.14010 163.0
[M+CH3COO]- 217.15575 184.2
[M+Na-2H]- 179.11657 143.5
[M]+ 158.14135 138.8
[M]- 158.14245 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