CID 3533108

13964-23-3

Structural Information

Molecular Formula
C12H19N3O5
SMILES
CC1(OCC(O1)C2C(C3C(O2)OC(O3)(C)C)N=[N+]=[N-])C
InChI
InChI=1S/C12H19N3O5/c1-11(2)16-5-6(18-11)8-7(14-15-13)9-10(17-8)20-12(3,4)19-9/h6-10H,5H2,1-4H3
InChIKey
UZVCUNUCGITLER-UHFFFAOYSA-N
Compound name
6-azido-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

285.13248 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.13976 163.1
[M+Na]+ 308.12170 169.5
[M-H]- 284.12520 175.6
[M+NH4]+ 303.16630 181.8
[M+K]+ 324.09564 168.9
[M+H-H2O]+ 268.12974 166.2
[M+HCOO]- 330.13068 184.5
[M+CH3COO]- 344.14633 202.8
[M+Na-2H]- 306.10715 172.2
[M]+ 285.13193 165.3
[M]- 285.13303 165.3
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