CID 88092

19493-25-5

Structural Information

Molecular Formula
C13H22NO
SMILES
CC[N+](CC)(CCO)CC1=CC=CC=C1
InChI
InChI=1S/C13H22NO/c1-3-14(4-2,10-11-15)12-13-8-6-5-7-9-13/h5-9,15H,3-4,10-12H2,1-2H3/q+1
InChIKey
MMKZWJXLFOYJGN-UHFFFAOYSA-N
Compound name
benzyl-diethyl-(2-hydroxyethyl)azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

21
Patents

208.17014 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.17742 148.5
[M+Na]+ 231.15936 153.7
[M-H]- 207.16286 151.8
[M+NH4]+ 226.20396 167.2
[M+K]+ 247.13330 146.0
[M+H-H2O]+ 191.16740 145.3
[M+HCOO]- 253.16834 171.0
[M+CH3COO]- 267.18399 184.1
[M+Na-2H]- 229.14481 157.9
[M]+ 208.16959 148.5
[M]- 208.17069 148.5
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