CID 165789450

En300-37470924

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[C@H]2CN
InChI
InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-7-9-5-10(14)4-8(9)6-13/h8-10H,4-7,13H2,1-3H3/t8-,9-,10+/m0/s1
InChIKey
JHTGGGSRFHKQPK-LPEHRKFASA-N
Compound name
tert-butyl (1R,4R,5R)-5-(aminomethyl)-2-azabicyclo[2.2.1]heptane-2-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 157.3
[M+Na]+ 249.157338 163.3
[M-H]- 225.160844 158.3
[M+NH4]+ 244.201943 179.3
[M+K]+ 265.131278 161.9
[M+H-H2O]+ 209.165380 152.6
[M+HCOO]- 271.166321 174.7
[M+CH3COO]- 285.181971 192.0
[M+Na-2H]- 247.142786 158.1
[M]+ 226.16757142 156.6
[M]- 226.16866858 156.6
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.