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

13
Patents

215.13101 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.13829 153.1
[M+Na]+ 238.12023 161.3
[M-H]- 214.12373 160.7
[M+NH4]+ 233.16483 167.5
[M+K]+ 254.09417 158.1
[M+H-H2O]+ 198.12827 145.3
[M+HCOO]- 260.12921 172.6
[M+CH3COO]- 274.14486 164.7
[M+Na-2H]- 236.10568 158.9
[M]+ 215.13046 151.7
[M]- 215.13156 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