CID 165651041

2751610-62-3

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC(C)(C)OC(=O)N1CC2(CC1CCO2)CO
InChI
InChI=1S/C12H21NO4/c1-11(2,3)17-10(15)13-7-12(8-14)6-9(13)4-5-16-12/h9,14H,4-8H2,1-3H3
InChIKey
JHVJKMWVZVWIGN-UHFFFAOYSA-N
Compound name
tert-butyl 1-(hydroxymethyl)-2-oxa-6-azabicyclo[3.2.1]octane-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.14706 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 156.9
[M+Na]+ 266.13628 162.5
[M-H]- 242.13978 157.1
[M+NH4]+ 261.18088 176.6
[M+K]+ 282.11022 162.7
[M+H-H2O]+ 226.14432 152.7
[M+HCOO]- 288.14526 169.7
[M+CH3COO]- 302.16091 187.8
[M+Na-2H]- 264.12173 162.3
[M]+ 243.14651 157.4
[M]- 243.14761 157.4
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.