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

50
Patents

211.12085 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.12813 149.8
[M+Na]+ 234.11007 159.0
[M-H]- 210.11357 149.6
[M+NH4]+ 229.15467 168.3
[M+K]+ 250.08401 156.0
[M+H-H2O]+ 194.11811 139.2
[M+HCOO]- 256.11905 162.1
[M+CH3COO]- 270.13470 189.7
[M+Na-2H]- 232.09552 151.9
[M]+ 211.12030 144.0
[M]- 211.12140 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