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

5
Patents

140.09496 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.102236 129.3
[M+Na]+ 163.084178 137.0
[M-H]- 139.087684 129.2
[M+NH4]+ 158.128783 155.5
[M+K]+ 179.058118 134.4
[M+H-H2O]+ 123.092220 124.9
[M+HCOO]- 185.093161 149.3
[M+CH3COO]- 199.108811 171.5
[M+Na-2H]- 161.069626 134.2
[M]+ 140.09441142 124.8
[M]- 140.09550858 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