CID 21552585

2-azaspiro[3.3]heptan-1-one

Structural Information

Molecular Formula
C6H9NO
SMILES
C1CC2(C1)CNC2=O
InChI
InChI=1S/C6H9NO/c8-5-6(4-7-5)2-1-3-6/h1-4H2,(H,7,8)
InChIKey
JCPLQTZVBUXJGQ-UHFFFAOYSA-N
Compound name
2-azaspiro[3.3]heptan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

111.06841 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.075686 114.4
[M+Na]+ 134.057628 119.8
[M-H]- 110.061134 117.6
[M+NH4]+ 129.102233 124.0
[M+K]+ 150.031568 123.8
[M+H-H2O]+ 94.065670 101.7
[M+HCOO]- 156.066611 131.7
[M+CH3COO]- 170.082261 178.8
[M+Na-2H]- 132.043076 122.0
[M]+ 111.06786142 127.2
[M]- 111.06895858 127.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe