CID 121553759

4-benzyl-4-azaspiro[2.5]octan-7-one

Structural Information

Molecular Formula
C14H17NO
SMILES
C1CN(C2(CC2)CC1=O)CC3=CC=CC=C3
InChI
InChI=1S/C14H17NO/c16-13-6-9-15(14(10-13)7-8-14)11-12-4-2-1-3-5-12/h1-5H,6-11H2
InChIKey
YGELJXVRTABJTD-UHFFFAOYSA-N
Compound name
4-benzyl-4-azaspiro[2.5]octan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

215.13101 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.138286 153.1
[M+Na]+ 238.120228 161.3
[M-H]- 214.123734 160.7
[M+NH4]+ 233.164833 167.5
[M+K]+ 254.094168 158.1
[M+H-H2O]+ 198.128270 145.3
[M+HCOO]- 260.129211 172.6
[M+CH3COO]- 274.144861 164.7
[M+Na-2H]- 236.105676 158.9
[M]+ 215.13046142 151.7
[M]- 215.13155858 151.7
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

patents stripe