CID 80058

Triethylcholine

Structural Information

Molecular Formula
C8H20NO
SMILES
CC[N+](CC)(CC)CCO
InChI
InChI=1S/C8H20NO/c1-4-9(5-2,6-3)7-8-10/h10H,4-8H2,1-3H3/q+1
InChIKey
GZBUMTPCIKCWFW-UHFFFAOYSA-N
Compound name
triethyl(2-hydroxyethyl)azanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

21
References

2358
Patents

146.1545 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.16178 132.2
[M+Na]+ 169.14372 138.3
[M-H]- 145.14722 132.8
[M+NH4]+ 164.18832 153.8
[M+K]+ 185.11766 132.8
[M+H-H2O]+ 129.15176 130.9
[M+HCOO]- 191.15270 154.8
[M+CH3COO]- 205.16835 173.8
[M+Na-2H]- 167.12917 141.7
[M]+ 146.15395 132.8
[M]- 146.15505 132.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe