CID 84782374

Tert-butyl 2,5-diazabicyclo[4.1.1]octane-2-carboxylate

Structural Information

Molecular Formula
C11H20N2O2
SMILES
CC(C)(C)OC(=O)N1CCNC2CC1C2
InChI
InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-5-4-12-8-6-9(13)7-8/h8-9,12H,4-7H2,1-3H3
InChIKey
QDDOXTVBDPZPHH-UHFFFAOYSA-N
Compound name
tert-butyl 2,5-diazabicyclo[4.1.1]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.15248 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.15976 168.9
[M+Na]+ 235.14170 175.7
[M-H]- 211.14520 168.7
[M+NH4]+ 230.18630 181.6
[M+K]+ 251.11564 175.3
[M+H-H2O]+ 195.14974 165.3
[M+HCOO]- 257.15068 176.6
[M+CH3COO]- 271.16633 202.7
[M+Na-2H]- 233.12715 175.5
[M]+ 212.15193 174.9
[M]- 212.15303 174.9
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.