CID 53302244

1250997-62-6

Structural Information

Molecular Formula
C11H20N2O2
SMILES
CC(C)(C)OC(=O)N1CC2CC1(C2)CN
InChI
InChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-6-8-4-11(13,5-8)7-12/h8H,4-7,12H2,1-3H3
InChIKey
PORGHNCLXWCXOD-UHFFFAOYSA-N
Compound name
tert-butyl 1-(aminomethyl)-2-azabicyclo[2.1.1]hexane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

212.15248 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.15976 163.1
[M+Na]+ 235.14170 167.8
[M-H]- 211.14520 162.3
[M+NH4]+ 230.18630 182.7
[M+K]+ 251.11564 169.6
[M+H-H2O]+ 195.14974 155.8
[M+HCOO]- 257.15068 177.5
[M+CH3COO]- 271.16633 193.6
[M+Na-2H]- 233.12715 167.9
[M]+ 212.15193 175.6
[M]- 212.15303 175.6
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

patents stripe