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

72
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 146.3
[M+Na]+ 233.13862 159.0
[M+NH4]+ 228.18322 155.3
[M+K]+ 249.11256 153.4
[M-H]- 209.14212 149.7
[M+Na-2H]- 231.12407 153.7
[M]+ 210.14885 149.4
[M]- 210.14995 149.4
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