CID 19895345

Schembl766399

Structural Information

Molecular Formula
C9H18N2O3
SMILES
CN(C)CCCNC(=O)CCC(=O)O
InChI
InChI=1S/C9H18N2O3/c1-11(2)7-3-6-10-8(12)4-5-9(13)14/h3-7H2,1-2H3,(H,10,12)(H,13,14)
InChIKey
OXUYJSVCKRRKMR-UHFFFAOYSA-N
Compound name
4-[3-(dimethylamino)propylamino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

202.13174 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.139016 148.2
[M+Na]+ 225.120958 152.2
[M-H]- 201.124464 148.0
[M+NH4]+ 220.165563 166.4
[M+K]+ 241.094898 152.8
[M+H-H2O]+ 185.129000 142.0
[M+HCOO]- 247.129941 171.1
[M+CH3COO]- 261.145591 192.2
[M+Na-2H]- 223.106406 150.2
[M]+ 202.13119142 149.8
[M]- 202.13228858 149.8
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