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
[(1R,8S)-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

366
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 159.1
[M+Na]+ 314.09992 163.9
[M-H]- 290.10342 161.9
[M+NH4]+ 309.14452 164.6
[M+K]+ 330.07386 163.4
[M+H-H2O]+ 274.10796 155.3
[M+HCOO]- 336.10890 166.5
[M+CH3COO]- 350.12455 230.4
[M+Na-2H]- 312.08537 157.1
[M]+ 291.11015 159.9
[M]- 291.11125 159.9
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