CID 97304483

1932199-27-3

Structural Information

Molecular Formula
C11H20N2O4
SMILES
CC(C)(C)OC(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2N
InChI
InChI=1S/C11H20N2O4/c1-11(2,3)17-10(14)13-7-5-16-8-6(12)4-15-9(7)8/h6-9H,4-5,12H2,1-3H3,(H,13,14)/t6-,7-,8+,9+/m0/s1
InChIKey
XSXSNSZFCYKBPW-RBXMUDONSA-N
Compound name
tert-butyl N-[(3S,3aR,6S,6aR)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.1423 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.14958 156.4
[M+Na]+ 267.13152 161.3
[M-H]- 243.13502 161.2
[M+NH4]+ 262.17612 175.0
[M+K]+ 283.10546 162.8
[M+H-H2O]+ 227.13956 152.3
[M+HCOO]- 289.14050 175.0
[M+CH3COO]- 303.15615 195.0
[M+Na-2H]- 265.11697 159.5
[M]+ 244.14175 156.1
[M]- 244.14285 156.1
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.