CID 43892

Gc 42

Structural Information

Molecular Formula
C13H30N4O2
SMILES
C[N+](C)(C)CCNC(=O)CC(=O)NCC[N+](C)(C)C
InChI
InChI=1S/C13H28N4O2/c1-16(2,3)9-7-14-12(18)11-13(19)15-8-10-17(4,5)6/h7-11H2,1-6H3/p+2
InChIKey
ZRFNHKXLEKKTTG-UHFFFAOYSA-P
Compound name
trimethyl-[2-[[3-oxo-3-[2-(trimethylazaniumyl)ethylamino]propanoyl]amino]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.23688 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.24416 196.0
[M+Na]+ 297.22610 201.8
[M+NH4]+ 292.27070 203.5
[M+K]+ 313.20004 207.5
[M-H]- 273.22960 190.1
[M+Na-2H]- 295.21155 189.8
[M]+ 274.23633 196.9
[M]- 274.23743 196.9
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

No patent data available for this compound.