CID 138047241

2249153-71-5

Structural Information

Molecular Formula
C17H27NO4
SMILES
CC(C)(C)OC(=O)C1(CCCN1C(=O)OC(C)(C)C)CC#C
InChI
InChI=1S/C17H27NO4/c1-8-10-17(13(19)21-15(2,3)4)11-9-12-18(17)14(20)22-16(5,6)7/h1H,9-12H2,2-7H3
InChIKey
ASCSMBFLJXCDPQ-UHFFFAOYSA-N
Compound name
ditert-butyl 2-prop-2-ynylpyrrolidine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.194 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.201276 176.0
[M+Na]+ 332.183218 183.4
[M-H]- 308.186724 176.5
[M+NH4]+ 327.227823 191.5
[M+K]+ 348.157158 181.1
[M+H-H2O]+ 292.191260 165.3
[M+HCOO]- 354.192201 185.9
[M+CH3COO]- 368.207851 209.0
[M+Na-2H]- 330.168666 176.0
[M]+ 309.19345142 173.3
[M]- 309.19454858 173.3
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.