CID 57145443

Tert-butyl 4-(hydroxymethyl)-2-azabicyclo[2.1.1]hexane-2-carboxylate

Structural Information

Molecular Formula
C11H19NO3
SMILES
CC(C)(C)OC(=O)N1CC2(CC1C2)CO
InChI
InChI=1S/C11H19NO3/c1-10(2,3)15-9(14)12-6-11(7-13)4-8(12)5-11/h8,13H,4-7H2,1-3H3
InChIKey
XHGWUMIYVRWGKU-UHFFFAOYSA-N
Compound name
tert-butyl 4-(hydroxymethyl)-2-azabicyclo[2.1.1]hexane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

213.13649 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.14377 161.7
[M+Na]+ 236.12571 166.9
[M-H]- 212.12921 160.3
[M+NH4]+ 231.17031 181.2
[M+K]+ 252.09965 168.5
[M+H-H2O]+ 196.13375 155.4
[M+HCOO]- 258.13469 174.6
[M+CH3COO]- 272.15034 189.1
[M+Na-2H]- 234.11116 166.9
[M]+ 213.13594 175.6
[M]- 213.13704 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