CID 165588983

2731009-73-5

Structural Information

Molecular Formula
C17H29NO5
SMILES
CC(C)(C)OC(=O)C12CC(C1)(CN(C2)C(=O)OC(C)(C)C)CO
InChI
InChI=1S/C17H29NO5/c1-14(2,3)22-12(20)17-7-16(8-17,11-19)9-18(10-17)13(21)23-15(4,5)6/h19H,7-11H2,1-6H3
InChIKey
VQKRUGGWIZTXKG-UHFFFAOYSA-N
Compound name
ditert-butyl 5-(hydroxymethyl)-3-azabicyclo[3.1.1]heptane-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.20456 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.21184 200.7
[M+Na]+ 350.19378 202.9
[M-H]- 326.19728 195.9
[M+NH4]+ 345.23838 214.2
[M+K]+ 366.16772 205.7
[M+H-H2O]+ 310.20182 193.1
[M+HCOO]- 372.20276 204.3
[M+CH3COO]- 386.21841 211.0
[M+Na-2H]- 348.17923 207.6
[M]+ 327.20401 215.4
[M]- 327.20511 215.4
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.