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

9
Patents

140.09496 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.10224 127.3
[M+Na]+ 163.08418 131.7
[M-H]- 139.08768 129.9
[M+NH4]+ 158.12878 135.2
[M+K]+ 179.05812 135.3
[M+H-H2O]+ 123.09222 113.3
[M+HCOO]- 185.09316 144.1
[M+CH3COO]- 199.10881 186.1
[M+Na-2H]- 161.06963 132.4
[M]+ 140.09441 138.9
[M]- 140.09551 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