CID 75412386

1426827-79-3

Structural Information

Molecular Formula
C15H17NO5
SMILES
C1C[C@@H]2[C@@H](C2COC(=O)ON3C(=O)CCC3=O)CCC#C1
InChI
InChI=1S/C15H17NO5/c17-13-7-8-14(18)16(13)21-15(19)20-9-12-10-5-3-1-2-4-6-11(10)12/h10-12H,3-9H2/t10-,11+,12?
InChIKey
SKTDJYHCSCYLQU-FOSCPWQOSA-N
Compound name
[(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

177
Patents

291.1107 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.11798 150.5
[M+Na]+ 314.09992 153.6
[M+NH4]+ 309.14452 152.8
[M+K]+ 330.07386 154.4
[M-H]- 290.10342 152.7
[M+Na-2H]- 312.08537 153.1
[M]+ 291.11015 151.7
[M]- 291.11125 151.7
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