CID 129849576

Dimethylaminoethanol pyroglutamate

Structural Information

Molecular Formula
C9H16N2O3
SMILES
CC(N(C)C)OC(=O)[C@@H]1CCC(=O)N1
InChI
InChI=1S/C9H16N2O3/c1-6(11(2)3)14-9(13)7-4-5-8(12)10-7/h6-7H,4-5H2,1-3H3,(H,10,12)/t6?,7-/m0/s1
InChIKey
PXKVCJOCQWPPDT-MLWJPKLSSA-N
Compound name
1-(dimethylamino)ethyl (2S)-5-oxopyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

200.11609 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.123366 145.4
[M+Na]+ 223.105308 150.4
[M-H]- 199.108814 147.3
[M+NH4]+ 218.149913 164.5
[M+K]+ 239.079248 150.8
[M+H-H2O]+ 183.113350 138.9
[M+HCOO]- 245.114291 165.6
[M+CH3COO]- 259.129941 187.1
[M+Na-2H]- 221.090756 145.4
[M]+ 200.11554142 144.2
[M]- 200.11663858 144.2
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