CID 3033302

64049-83-8

Structural Information

Molecular Formula
C11H29N3
SMILES
CN(CC[N+](C)(C)C)CC[N+](C)(C)C
InChI
InChI=1S/C11H29N3/c1-12(8-10-13(2,3)4)9-11-14(5,6)7/h8-11H2,1-7H3/q+2
InChIKey
HBXIZDUVYOKQBP-UHFFFAOYSA-N
Compound name
trimethyl-[2-[methyl-[2-(trimethylazaniumyl)ethyl]amino]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

203.23615 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.24343 142.5
[M+Na]+ 226.22537 147.0
[M-H]- 202.22887 147.1
[M+NH4]+ 221.26997 162.9
[M+K]+ 242.19931 138.4
[M+H-H2O]+ 186.23341 142.7
[M+HCOO]- 248.23435 167.0
[M+CH3COO]- 262.25000 194.2
[M+Na-2H]- 224.21082 154.6
[M]+ 203.23560 143.8
[M]- 203.23670 143.8
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