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

8
Patents

173.15282 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.160096 142.4
[M+Na]+ 196.142038 146.4
[M-H]- 172.145544 143.1
[M+NH4]+ 191.186643 162.0
[M+K]+ 212.115978 146.9
[M+H-H2O]+ 156.150080 135.8
[M+HCOO]- 218.151021 167.8
[M+CH3COO]- 232.166671 192.7
[M+Na-2H]- 194.127486 145.8
[M]+ 173.15227142 142.2
[M]- 173.15336858 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