CID 12865

718-81-0

Structural Information

Molecular Formula
C12H18N2O2
SMILES
C=CCN1C(=O)C2(CCCCCC2)NC1=O
InChI
InChI=1S/C12H18N2O2/c1-2-9-14-10(15)12(13-11(14)16)7-5-3-4-6-8-12/h2H,1,3-9H2,(H,13,16)
InChIKey
CMIYRAQJNQRNGC-UHFFFAOYSA-N
Compound name
3-prop-2-enyl-1,3-diazaspiro[4.6]undecane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.13683 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.14411 149.4
[M+Na]+ 245.12605 153.8
[M-H]- 221.12955 151.4
[M+NH4]+ 240.17065 166.8
[M+K]+ 261.09999 153.1
[M+H-H2O]+ 205.13409 141.6
[M+HCOO]- 267.13503 164.2
[M+CH3COO]- 281.15068 185.9
[M+Na-2H]- 243.11150 150.4
[M]+ 222.13628 140.1
[M]- 222.13738 140.1
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.