CID 123335

N,n'-dipropyloxamide

Structural Information

Molecular Formula
C8H16N2O2
SMILES
CCCNC(=O)C(=O)NCCC
InChI
InChI=1S/C8H16N2O2/c1-3-5-9-7(11)8(12)10-6-4-2/h3-6H2,1-2H3,(H,9,11)(H,10,12)
InChIKey
FRZWXXLIRIYHFT-UHFFFAOYSA-N
Compound name
N,N'-dipropyloxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

172.12119 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.128466 141.0
[M+Na]+ 195.110408 145.9
[M-H]- 171.113914 141.0
[M+NH4]+ 190.155013 160.8
[M+K]+ 211.084348 145.8
[M+H-H2O]+ 155.118450 135.2
[M+HCOO]- 217.119391 165.0
[M+CH3COO]- 231.135041 184.8
[M+Na-2H]- 193.095856 144.8
[M]+ 172.12064142 141.3
[M]- 172.12173858 141.3
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