CID 121604836

Tert-butyl 3-aminobicyclo[1.1.1]pentane-1-carboxylate

Structural Information

Molecular Formula
C10H17NO2
SMILES
CC(C)(C)OC(=O)C12CC(C1)(C2)N
InChI
InChI=1S/C10H17NO2/c1-8(2,3)13-7(12)9-4-10(11,5-9)6-9/h4-6,11H2,1-3H3
InChIKey
IYZGTBCLPDXZGM-UHFFFAOYSA-N
Compound name
tert-butyl 3-aminobicyclo[1.1.1]pentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

183.12593 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.13321 168.5
[M+Na]+ 206.11515 170.9
[M-H]- 182.11865 171.0
[M+NH4]+ 201.15975 173.8
[M+K]+ 222.08909 177.1
[M+H-H2O]+ 166.12319 155.3
[M+HCOO]- 228.12413 179.4
[M+CH3COO]- 242.13978 211.3
[M+Na-2H]- 204.10060 173.0
[M]+ 183.12538 192.6
[M]- 183.12648 192.6
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