CID 3097430

69852-49-9

Structural Information

Molecular Formula
C8H19N3O
SMILES
CN(C)CCCNCCC(=O)N
InChI
InChI=1S/C8H19N3O/c1-11(2)7-3-5-10-6-4-8(9)12/h10H,3-7H2,1-2H3,(H2,9,12)
InChIKey
NBANCPUCRZJYPJ-UHFFFAOYSA-N
Compound name
3-[3-(dimethylamino)propylamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

173.15282 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.16010 142.4
[M+Na]+ 196.14204 146.4
[M-H]- 172.14554 143.1
[M+NH4]+ 191.18664 162.0
[M+K]+ 212.11598 146.9
[M+H-H2O]+ 156.15008 135.8
[M+HCOO]- 218.15102 167.8
[M+CH3COO]- 232.16667 192.7
[M+Na-2H]- 194.12749 145.8
[M]+ 173.15227 142.2
[M]- 173.15337 142.2
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