CID 75874

2664-61-1

Structural Information

Molecular Formula
C9H18N4O3
SMILES
C(CN(CCC(=O)N)CCC(=O)N)C(=O)N
InChI
InChI=1S/C9H18N4O3/c10-7(14)1-4-13(5-2-8(11)15)6-3-9(12)16/h1-6H2,(H2,10,14)(H2,11,15)(H2,12,16)
InChIKey
RERXJGPPGMABOY-UHFFFAOYSA-N
Compound name
3-[bis(3-amino-3-oxopropyl)amino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

402
Patents

230.1379 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.14518 153.9
[M+Na]+ 253.12712 156.6
[M-H]- 229.13062 153.5
[M+NH4]+ 248.17172 169.8
[M+K]+ 269.10106 157.3
[M+H-H2O]+ 213.13516 146.3
[M+HCOO]- 275.13610 177.6
[M+CH3COO]- 289.15175 204.3
[M+Na-2H]- 251.11257 152.6
[M]+ 230.13735 151.3
[M]- 230.13845 151.3
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