CID 17750454

487048-28-2

Structural Information

Molecular Formula
C12H18N2O4
SMILES
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)OC)C#N
InChI
InChI=1S/C12H18N2O4/c1-12(2,3)18-11(16)14-7-8(6-13)5-9(14)10(15)17-4/h8-9H,5,7H2,1-4H3/t8-,9+/m1/s1
InChIKey
GHLKJIQVORAVHE-BDAKNGLRSA-N
Compound name
1-O-tert-butyl 2-O-methyl (2S,4S)-4-cyanopyrrolidine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

239
Patents

254.12666 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.13394 155.2
[M+Na]+ 277.11588 162.1
[M+NH4]+ 272.16048 156.8
[M+K]+ 293.08982 158.3
[M-H]- 253.11938 145.7
[M+Na-2H]- 275.10133 153.8
[M]+ 254.12611 152.2
[M]- 254.12721 152.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe