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 144.2
[M+Na]+ 221.08967 149.8
[M-H]- 197.09317 146.0
[M+NH4]+ 216.13427 163.4
[M+K]+ 237.06361 149.1
[M+H-H2O]+ 181.09771 137.7
[M+HCOO]- 243.09865 165.6
[M+CH3COO]- 257.11430 184.6
[M+Na-2H]- 219.07512 145.4
[M]+ 198.09990 142.8
[M]- 198.10100 142.8
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