CID 5746681

T-butyloxycarbonyl-alanyl-prolinal

Structural Information

Molecular Formula
C13H22N2O4
SMILES
C[C@@H](C(=O)N1CCC[C@H]1C=O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C13H22N2O4/c1-9(14-12(18)19-13(2,3)4)11(17)15-7-5-6-10(15)8-16/h8-10H,5-7H2,1-4H3,(H,14,18)/t9-,10-/m0/s1
InChIKey
MHCFMRIMHHAGFY-UWVGGRQHSA-N
Compound name
tert-butyl N-[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

270.15796 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.16524 163.6
[M+Na]+ 293.14718 168.6
[M+NH4]+ 288.19178 167.6
[M+K]+ 309.12112 168.8
[M-H]- 269.15068 160.8
[M+Na-2H]- 291.13263 163.4
[M]+ 270.15741 162.8
[M]- 270.15851 162.8
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