CID 251291

81758-27-2

Structural Information

Molecular Formula
C12H15NO3
SMILES
CC(CN1C(=O)C2C3CC(C2C1=O)C=C3)O
InChI
InChI=1S/C12H15NO3/c1-6(14)5-13-11(15)9-7-2-3-8(4-7)10(9)12(13)16/h2-3,6-10,14H,4-5H2,1H3
InChIKey
RIJZYWXQEGNBBZ-UHFFFAOYSA-N
Compound name
4-(2-hydroxypropyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.1052 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.11248 152.2
[M+Na]+ 244.09442 160.9
[M-H]- 220.09792 154.2
[M+NH4]+ 239.13902 176.8
[M+K]+ 260.06836 158.1
[M+H-H2O]+ 204.10246 148.9
[M+HCOO]- 266.10340 170.1
[M+CH3COO]- 280.11905 188.8
[M+Na-2H]- 242.07987 151.0
[M]+ 221.10465 153.2
[M]- 221.10575 153.2
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.