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]+ 310.20128 176.0
[M+Na]+ 332.18322 183.4
[M-H]- 308.18672 176.5
[M+NH4]+ 327.22782 191.5
[M+K]+ 348.15716 181.1
[M+H-H2O]+ 292.19126 165.3
[M+HCOO]- 354.19220 185.9
[M+CH3COO]- 368.20785 209.0
[M+Na-2H]- 330.16867 176.0
[M]+ 309.19345 173.3
[M]- 309.19455 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.