CID 44148729

73570-67-9

Structural Information

Molecular Formula
C14H26N2O2
SMILES
C[N+](C)(CCO)C1=CC=C(C=C1)[N+](C)(C)CCO
InChI
InChI=1S/C14H26N2O2/c1-15(2,9-11-17)13-5-7-14(8-6-13)16(3,4)10-12-18/h5-8,17-18H,9-12H2,1-4H3/q+2
InChIKey
IDLKLNLFMVCHJF-UHFFFAOYSA-N
Compound name
2-hydroxyethyl-[4-[2-hydroxyethyl(dimethyl)azaniumyl]phenyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.19943 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.206706 155.5
[M+Na]+ 277.188648 160.4
[M-H]- 253.192154 159.4
[M+NH4]+ 272.233253 172.1
[M+K]+ 293.162588 147.9
[M+H-H2O]+ 237.196690 155.3
[M+HCOO]- 299.197631 176.6
[M+CH3COO]- 313.213281 189.3
[M+Na-2H]- 275.174096 167.8
[M]+ 254.19888142 154.6
[M]- 254.19997858 154.6
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.