CID 43890

Gc 41

Structural Information

Molecular Formula
C12H28N4O2
SMILES
C[N+](C)(C)CCNC(=O)C(=O)NCC[N+](C)(C)C
InChI
InChI=1S/C12H26N4O2/c1-15(2,3)9-7-13-11(17)12(18)14-8-10-16(4,5)6/h7-10H2,1-6H3/p+2
InChIKey
JLWWNZRSLACMEN-UHFFFAOYSA-P
Compound name
trimethyl-[2-[[2-oxo-2-[2-(trimethylazaniumyl)ethylamino]acetyl]amino]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.22122 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.22850 153.2
[M+Na]+ 283.21044 156.4
[M-H]- 259.21394 156.2
[M+NH4]+ 278.25504 170.1
[M+K]+ 299.18438 146.7
[M+H-H2O]+ 243.21848 152.9
[M+HCOO]- 305.21942 176.8
[M+CH3COO]- 319.23507 198.6
[M+Na-2H]- 281.19589 164.2
[M]+ 260.22067 152.4
[M]- 260.22177 152.4
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.