CID 495487

Nsc656597

Structural Information

Molecular Formula
C17H29NO
SMILES
C1CCCCC2CC(CCCC1)CC3(C2)CC(=O)N3
InChI
InChI=1S/C17H29NO/c19-16-13-17(18-16)11-14-8-6-4-2-1-3-5-7-9-15(10-14)12-17/h14-15H,1-13H2,(H,18,19)
InChIKey
PXJIONNUHXKHRR-UHFFFAOYSA-N
Compound name
spiro[azetidine-4,13'-bicyclo[9.3.1]pentadecane]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.2249 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.23218 162.1
[M+Na]+ 286.21412 162.6
[M-H]- 262.21762 160.2
[M+NH4]+ 281.25872 171.0
[M+K]+ 302.18806 162.4
[M+H-H2O]+ 246.22216 153.4
[M+HCOO]- 308.22310 169.8
[M+CH3COO]- 322.23875 168.6
[M+Na-2H]- 284.19957 163.4
[M]+ 263.22435 156.7
[M]- 263.22545 156.7
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.