CID 46082

Ammonium, ethylbis(2-hydroxyethyl)methyl-, chloride

Structural Information

Molecular Formula
C7H18NO2
SMILES
CC[N+](C)(CCO)CCO
InChI
InChI=1S/C7H18NO2/c1-3-8(2,4-6-9)5-7-10/h9-10H,3-7H2,1-2H3/q+1
InChIKey
IWBPYNRFDQOVKM-UHFFFAOYSA-N
Compound name
ethyl-bis(2-hydroxyethyl)-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

148.13376 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.14104 131.3
[M+Na]+ 171.12298 137.3
[M-H]- 147.12648 130.5
[M+NH4]+ 166.16758 151.9
[M+K]+ 187.09692 131.4
[M+H-H2O]+ 131.13102 130.0
[M+HCOO]- 193.13196 152.8
[M+CH3COO]- 207.14761 169.8
[M+Na-2H]- 169.10843 140.7
[M]+ 148.13321 130.9
[M]- 148.13431 130.9
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