CID 125451195

6-(aminomethyl)-1-azaspiro[3.3]heptan-2-one

Structural Information

Molecular Formula
C7H12N2O
SMILES
C1C(CC12CC(=O)N2)CN
InChI
InChI=1S/C7H12N2O/c8-4-5-1-7(2-5)3-6(10)9-7/h5H,1-4,8H2,(H,9,10)
InChIKey
DOMBOKRFRPORAN-UHFFFAOYSA-N
Compound name
6-(aminomethyl)-1-azaspiro[3.3]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

140.09496 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.102236 127.3
[M+Na]+ 163.084178 131.7
[M-H]- 139.087684 129.9
[M+NH4]+ 158.128783 135.2
[M+K]+ 179.058118 135.3
[M+H-H2O]+ 123.092220 113.3
[M+HCOO]- 185.093161 144.1
[M+CH3COO]- 199.108811 186.1
[M+Na-2H]- 161.069626 132.4
[M]+ 140.09441142 138.9
[M]- 140.09550858 138.9
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