CID 18366064

275387-76-3

Structural Information

Molecular Formula
C11H17NO3
SMILES
CC(C)(C)OC(=O)N1CCC(C1)(C#C)O
InChI
InChI=1S/C11H17NO3/c1-5-11(14)6-7-12(8-11)9(13)15-10(2,3)4/h1,14H,6-8H2,2-4H3
InChIKey
RXCGUGDUIPKXPN-UHFFFAOYSA-N
Compound name
tert-butyl 3-ethynyl-3-hydroxypyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

211.12085 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.128126 149.8
[M+Na]+ 234.110068 159.0
[M-H]- 210.113574 149.6
[M+NH4]+ 229.154673 168.3
[M+K]+ 250.084008 156.0
[M+H-H2O]+ 194.118110 139.2
[M+HCOO]- 256.119051 162.1
[M+CH3COO]- 270.134701 189.7
[M+Na-2H]- 232.095516 151.9
[M]+ 211.12030142 144.0
[M]- 211.12139858 144.0
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

patents stripe