CID 3063133

N-benzyloxycarbonyl-glycyl-prolinal

Structural Information

Molecular Formula
C15H18N2O4
SMILES
C1C[C@H](N(C1)C(=O)CNC(=O)OCC2=CC=CC=C2)C=O
InChI
InChI=1S/C15H18N2O4/c18-10-13-7-4-8-17(13)14(19)9-16-15(20)21-11-12-5-2-1-3-6-12/h1-3,5-6,10,13H,4,7-9,11H2,(H,16,20)/t13-/m0/s1
InChIKey
ABRSIVSXNGBDME-ZDUSSCGKSA-N
Compound name
benzyl N-[2-[(2S)-2-formylpyrrolidin-1-yl]-2-oxoethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

290.12665 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.13393 166.9
[M+Na]+ 313.11587 171.0
[M-H]- 289.11937 171.5
[M+NH4]+ 308.16047 181.8
[M+K]+ 329.08981 168.8
[M+H-H2O]+ 273.12391 158.4
[M+HCOO]- 335.12485 188.0
[M+CH3COO]- 349.14050 199.8
[M+Na-2H]- 311.10132 167.5
[M]+ 290.12610 166.5
[M]- 290.12720 166.5
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

No patent data available for this compound.