CID 4532904

175463-34-0

Structural Information

Molecular Formula
C15H28N2O5
SMILES
CC(C)(C)OC(=O)NCC1CN(CC1O)C(=O)OC(C)(C)C
InChI
InChI=1S/C15H28N2O5/c1-14(2,3)21-12(19)16-7-10-8-17(9-11(10)18)13(20)22-15(4,5)6/h10-11,18H,7-9H2,1-6H3,(H,16,19)
InChIKey
VSFCEPRNHYOLGU-UHFFFAOYSA-N
Compound name
tert-butyl 3-hydroxy-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

316.19983 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.20711 176.3
[M+Na]+ 339.18905 180.2
[M-H]- 315.19255 176.8
[M+NH4]+ 334.23365 190.8
[M+K]+ 355.16299 180.4
[M+H-H2O]+ 299.19709 170.9
[M+HCOO]- 361.19803 191.3
[M+CH3COO]- 375.21368 204.8
[M+Na-2H]- 337.17450 176.3
[M]+ 316.19928 177.9
[M]- 316.20038 177.9
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