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

14
Patents

244.1423 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.149576 156.4
[M+Na]+ 267.131518 161.3
[M-H]- 243.135024 161.2
[M+NH4]+ 262.176123 175.0
[M+K]+ 283.105458 162.8
[M+H-H2O]+ 227.139560 152.3
[M+HCOO]- 289.140501 175.0
[M+CH3COO]- 303.156151 195.0
[M+Na-2H]- 265.116966 159.5
[M]+ 244.14175142 156.1
[M]- 244.14284858 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

patents stripe