CID 13329883

186393-22-6

Structural Information

Molecular Formula
C9H17NO4
SMILES
CC(C)(C)OC(=O)N1C[C@H]([C@H](C1)O)O
InChI
InChI=1S/C9H17NO4/c1-9(2,3)14-8(13)10-4-6(11)7(12)5-10/h6-7,11-12H,4-5H2,1-3H3/t6-,7+
InChIKey
MAXQBMZDVBHSLW-KNVOCYPGSA-N
Compound name
tert-butyl (3R,4S)-3,4-dihydroxypyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

127
Patents

203.11575 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.12303 146.0
[M+Na]+ 226.10497 152.7
[M-H]- 202.10847 145.7
[M+NH4]+ 221.14957 164.7
[M+K]+ 242.07891 152.0
[M+H-H2O]+ 186.11301 141.3
[M+HCOO]- 248.11395 162.6
[M+CH3COO]- 262.12960 178.5
[M+Na-2H]- 224.09042 147.5
[M]+ 203.11520 145.0
[M]- 203.11630 145.0
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