CID 71741941

1-benzyl-1,6-diazaspiro[3.3]heptan-2-one hydrochloride

Structural Information

Molecular Formula
C12H14N2O
SMILES
C1C(=O)N(C12CNC2)CC3=CC=CC=C3
InChI
InChI=1S/C12H14N2O/c15-11-6-12(8-13-9-12)14(11)7-10-4-2-1-3-5-10/h1-5,13H,6-9H2
InChIKey
WEPDAZIXXGOEOK-UHFFFAOYSA-N
Compound name
1-benzyl-1,6-diazaspiro[3.3]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.11061 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.11789 137.4
[M+Na]+ 225.09983 142.9
[M-H]- 201.10333 141.6
[M+NH4]+ 220.14443 142.4
[M+K]+ 241.07377 144.9
[M+H-H2O]+ 185.10787 121.6
[M+HCOO]- 247.10881 153.1
[M+CH3COO]- 261.12446 194.1
[M+Na-2H]- 223.08528 143.6
[M]+ 202.11006 150.7
[M]- 202.11116 150.7
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.