CID 3063139

Acetyl-glycyl-prolinal

Structural Information

Molecular Formula
C9H14N2O3
SMILES
CC(=O)NCC(=O)N1CCC[C@H]1C=O
InChI
InChI=1S/C9H14N2O3/c1-7(13)10-5-9(14)11-4-2-3-8(11)6-12/h6,8H,2-5H2,1H3,(H,10,13)/t8-/m0/s1
InChIKey
HXPLRFNNPINGHP-QMMMGPOBSA-N
Compound name
N-[2-[(2S)-2-formylpyrrolidin-1-yl]-2-oxoethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

198.10045 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.10773 145.5
[M+Na]+ 221.08967 152.4
[M+NH4]+ 216.13427 151.1
[M+K]+ 237.06361 150.7
[M-H]- 197.09317 144.2
[M+Na-2H]- 219.07512 147.0
[M]+ 198.09990 145.4
[M]- 198.10100 145.4
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