CID 3063144

Acetyl-prolyl-prolinal

Structural Information

Molecular Formula
C12H18N2O3
SMILES
CC(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C=O
InChI
InChI=1S/C12H18N2O3/c1-9(16)13-6-3-5-11(13)12(17)14-7-2-4-10(14)8-15/h8,10-11H,2-7H2,1H3/t10-,11-/m0/s1
InChIKey
VYWPTUQVXFYSOU-QWRGUYRKSA-N
Compound name
(2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]pyrrolidine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

238.13174 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.13902 157.3
[M+Na]+ 261.12096 164.1
[M+NH4]+ 256.16556 162.9
[M+K]+ 277.09490 164.2
[M-H]- 237.12446 156.5
[M+Na-2H]- 259.10641 158.4
[M]+ 238.13119 157.3
[M]- 238.13229 157.3
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