CID 145866938

Tert-butyl4-(aminomethyl)-2-azabicyclo[3.1.0]hexane-2-carboxylate,mixtureofdiastereomers

Structural Information

Molecular Formula
C11H20N2O2
SMILES
CC(C)(C)OC(=O)N1CC(C2C1C2)CN
InChI
InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-6-7(5-12)8-4-9(8)13/h7-9H,4-6,12H2,1-3H3
InChIKey
ZBBBKIXTLQEGAK-UHFFFAOYSA-N
Compound name
tert-butyl 4-(aminomethyl)-2-azabicyclo[3.1.0]hexane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.15248 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.15976 152.4
[M+Na]+ 235.14170 161.4
[M-H]- 211.14520 155.9
[M+NH4]+ 230.18630 168.0
[M+K]+ 251.11564 158.0
[M+H-H2O]+ 195.14974 147.1
[M+HCOO]- 257.15068 171.0
[M+CH3COO]- 271.16633 192.6
[M+Na-2H]- 233.12715 154.9
[M]+ 212.15193 155.2
[M]- 212.15303 155.2
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.