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

literature stripe

Patent stripe

patents stripe