CID 105484048

1780552-43-3

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)(C)OC(=O)N1CC2CCC2C1CN
InChI
InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-7-8-4-5-9(8)10(14)6-13/h8-10H,4-7,13H2,1-3H3
InChIKey
LYNFEJDBRSBOFH-UHFFFAOYSA-N
Compound name
tert-butyl 2-(aminomethyl)-3-azabicyclo[3.2.0]heptane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.16812 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.175396 156.5
[M+Na]+ 249.157338 160.7
[M-H]- 225.160844 158.6
[M+NH4]+ 244.201943 169.5
[M+K]+ 265.131278 162.5
[M+H-H2O]+ 209.165380 145.8
[M+HCOO]- 271.166321 172.8
[M+CH3COO]- 285.181971 195.4
[M+Na-2H]- 247.142786 157.3
[M]+ 226.16757142 163.9
[M]- 226.16866858 163.9
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

No patent data available for this compound.