CID 118527

33667-49-1

Structural Information

Molecular Formula
C12H20NO2
SMILES
C[N+](CCO)(CCO)CC1=CC=CC=C1
InChI
InChI=1S/C12H20NO2/c1-13(7-9-14,8-10-15)11-12-5-3-2-4-6-12/h2-6,14-15H,7-11H2,1H3/q+1
InChIKey
TYORFRRVUWSPEW-UHFFFAOYSA-N
Compound name
benzyl-bis(2-hydroxyethyl)-methylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

95
Patents

210.1494 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.15668 147.4
[M+Na]+ 233.13862 152.5
[M-H]- 209.14212 149.5
[M+NH4]+ 228.18322 165.2
[M+K]+ 249.11256 144.5
[M+H-H2O]+ 193.14666 144.4
[M+HCOO]- 255.14760 169.0
[M+CH3COO]- 269.16325 180.2
[M+Na-2H]- 231.12407 156.9
[M]+ 210.14885 146.5
[M]- 210.14995 146.5
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