CID 4416939

Tert-butyl 3-hydroxypyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C9H17NO3
SMILES
CC(C)(C)OC(=O)N1CCC(C1)O
InChI
InChI=1S/C9H17NO3/c1-9(2,3)13-8(12)10-5-4-7(11)6-10/h7,11H,4-6H2,1-3H3
InChIKey
APCBTRDHCDOPNY-UHFFFAOYSA-N
Compound name
tert-butyl 3-hydroxypyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5495
Patents

187.12085 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.128126 143.3
[M+Na]+ 210.110068 149.6
[M-H]- 186.113574 144.1
[M+NH4]+ 205.154673 163.1
[M+K]+ 226.084008 149.3
[M+H-H2O]+ 170.118110 138.2
[M+HCOO]- 232.119051 161.2
[M+CH3COO]- 246.134701 177.6
[M+Na-2H]- 208.095516 145.8
[M]+ 187.12030142 142.3
[M]- 187.12139858 142.3
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

No patent data available for this compound.