CID 51036037

Schembl1308940

Structural Information

Molecular Formula
C14H28N2O3
SMILES
CN(C)CCCNC(=O)CCCCCCCC(=O)O
InChI
InChI=1S/C14H28N2O3/c1-16(2)12-8-11-15-13(17)9-6-4-3-5-7-10-14(18)19/h3-12H2,1-2H3,(H,15,17)(H,18,19)
InChIKey
GACCFZXBPOHVCL-UHFFFAOYSA-N
Compound name
9-[3-(dimethylamino)propylamino]-9-oxononanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

272.21 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.21728 171.0
[M+Na]+ 295.19922 172.9
[M-H]- 271.20272 169.8
[M+NH4]+ 290.24382 186.4
[M+K]+ 311.17316 172.3
[M+H-H2O]+ 255.20726 163.8
[M+HCOO]- 317.20820 192.2
[M+CH3COO]- 331.22385 207.2
[M+Na-2H]- 293.18467 170.4
[M]+ 272.20945 174.4
[M]- 272.21055 174.4
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