CID 117816272

1250996-81-6

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)(C)OC(=O)N1C2CCC1(CC2)CN
InChI
InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-9-4-6-12(14,8-13)7-5-9/h9H,4-8,13H2,1-3H3
InChIKey
WKMITBBEIJTYRX-UHFFFAOYSA-N
Compound name
tert-butyl 1-(aminomethyl)-7-azabicyclo[2.2.1]heptane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

226.16812 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.175396 156.6
[M+Na]+ 249.157338 162.7
[M-H]- 225.160844 157.4
[M+NH4]+ 244.201943 180.2
[M+K]+ 265.131278 161.3
[M+H-H2O]+ 209.165380 152.3
[M+HCOO]- 271.166321 174.0
[M+CH3COO]- 285.181971 190.3
[M+Na-2H]- 247.142786 159.3
[M]+ 226.16757142 155.8
[M]- 226.16866858 155.8
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