CID 80579164

3-[3-(aminomethyl)phenyl]-1,3-diazaspiro[4.4]nonane-2,4-dione hydrochloride

Structural Information

Molecular Formula
C14H17N3O2
SMILES
C1CCC2(C1)C(=O)N(C(=O)N2)C3=CC=CC(=C3)CN
InChI
InChI=1S/C14H17N3O2/c15-9-10-4-3-5-11(8-10)17-12(18)14(16-13(17)19)6-1-2-7-14/h3-5,8H,1-2,6-7,9,15H2,(H,16,19)
InChIKey
UOUYBVGEQIDDMW-UHFFFAOYSA-N
Compound name
3-[3-(aminomethyl)phenyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.13208 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.13936 159.2
[M+Na]+ 282.12130 166.4
[M-H]- 258.12480 163.9
[M+NH4]+ 277.16590 177.8
[M+K]+ 298.09524 161.5
[M+H-H2O]+ 242.12934 151.7
[M+HCOO]- 304.13028 177.9
[M+CH3COO]- 318.14593 170.2
[M+Na-2H]- 280.10675 159.1
[M]+ 259.13153 153.0
[M]- 259.13263 153.0
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.