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]+ 204.243426 142.5
[M+Na]+ 226.225368 147.0
[M-H]- 202.228874 147.1
[M+NH4]+ 221.269973 162.9
[M+K]+ 242.199308 138.4
[M+H-H2O]+ 186.233410 142.7
[M+HCOO]- 248.234351 167.0
[M+CH3COO]- 262.250001 194.2
[M+Na-2H]- 224.210816 154.6
[M]+ 203.23560142 143.8
[M]- 203.23669858 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