CID 165890942

2580180-98-7

Structural Information

Molecular Formula
C14H21NO6
SMILES
CC(C)(C)OC(=O)N1CC2(CC(C2)(C1)C(=O)OC)C(=O)O
InChI
InChI=1S/C14H21NO6/c1-12(2,3)21-11(19)15-7-13(9(16)17)5-14(6-13,8-15)10(18)20-4/h5-8H2,1-4H3,(H,16,17)
InChIKey
QGASXNWNSDLOBP-UHFFFAOYSA-N
Compound name
5-methoxycarbonyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.1]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.1369 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.14418 186.2
[M+Na]+ 322.12612 188.9
[M-H]- 298.12962 181.7
[M+NH4]+ 317.17072 200.3
[M+K]+ 338.10006 192.4
[M+H-H2O]+ 282.13416 178.4
[M+HCOO]- 344.13510 191.7
[M+CH3COO]- 358.15075 205.0
[M+Na-2H]- 320.11157 192.7
[M]+ 299.13635 200.6
[M]- 299.13745 200.6
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

No patent data available for this compound.