CID 132354118

1-(aminomethyl)-2-azabicyclo[2.2.1]heptan-3-one

Structural Information

Molecular Formula
C7H12N2O
SMILES
C1CC2(CC1C(=O)N2)CN
InChI
InChI=1S/C7H12N2O/c8-4-7-2-1-5(3-7)6(10)9-7/h5H,1-4,8H2,(H,9,10)
InChIKey
NLBLQXZATGWQIF-UHFFFAOYSA-N
Compound name
1-(aminomethyl)-2-azabicyclo[2.2.1]heptan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

140.09496 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.10224 129.3
[M+Na]+ 163.08418 137.0
[M-H]- 139.08768 129.2
[M+NH4]+ 158.12878 155.5
[M+K]+ 179.05812 134.4
[M+H-H2O]+ 123.09222 124.9
[M+HCOO]- 185.09316 149.3
[M+CH3COO]- 199.10881 171.5
[M+Na-2H]- 161.06963 134.2
[M]+ 140.09441 124.8
[M]- 140.09551 124.8
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