CID 58757

101710-65-0

Structural Information

Molecular Formula
C16H30N2O2
SMILES
C[N+](C)(CCO)CC1=CC=C(C=C1)C[N+](C)(C)CCO
InChI
InChI=1S/C16H30N2O2/c1-17(2,9-11-19)13-15-5-7-16(8-6-15)14-18(3,4)10-12-20/h5-8,19-20H,9-14H2,1-4H3/q+2
InChIKey
VHVWDMGXVHWSEE-UHFFFAOYSA-N
Compound name
2-hydroxyethyl-[[4-[[2-hydroxyethyl(dimethyl)azaniumyl]methyl]phenyl]methyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

282.23074 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.23802 165.0
[M+Na]+ 305.21996 169.0
[M-H]- 281.22346 168.5
[M+NH4]+ 300.26456 180.4
[M+K]+ 321.19390 156.0
[M+H-H2O]+ 265.22800 164.3
[M+HCOO]- 327.22894 185.4
[M+CH3COO]- 341.24459 195.3
[M+Na-2H]- 303.20541 176.3
[M]+ 282.23019 164.7
[M]- 282.23129 164.7
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