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 157.7
[M+Na]+ 297.22610 160.4
[M-H]- 273.22960 160.5
[M+NH4]+ 292.27070 219.9
[M+K]+ 313.20004 150.4
[M+H-H2O]+ 257.23414 157.1
[M+HCOO]- 319.23508 234.4
[M+CH3COO]- 333.25073 202.3
[M+Na-2H]- 295.21155 168.2
[M]+ 274.23633 157.4
[M]- 274.23743 157.4
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

No patent data available for this compound.