CID 164658

Gamma-aminobutyrylcholine chloride hydrochloride

Structural Information

Molecular Formula
C9H21N2O2
SMILES
C[N+](C)(C)CCOC(=O)CCCN
InChI
InChI=1S/C9H21N2O2/c1-11(2,3)7-8-13-9(12)5-4-6-10/h4-8,10H2,1-3H3/q+1
InChIKey
OOIACSCGKZSYOU-UHFFFAOYSA-N
Compound name
2-(4-aminobutanoyloxy)ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

1
Patents

189.16031 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.167586 142.0
[M+Na]+ 212.149528 147.3
[M-H]- 188.153034 143.2
[M+NH4]+ 207.194133 161.8
[M+K]+ 228.123468 142.2
[M+H-H2O]+ 172.157570 139.6
[M+HCOO]- 234.158511 165.5
[M+CH3COO]- 248.174161 184.4
[M+Na-2H]- 210.134976 149.5
[M]+ 189.15976142 142.9
[M]- 189.16085858 142.9
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