CID 2755079

4711-00-6

Structural Information

Molecular Formula
C12H19N3O5
SMILES
CC1(OC2C(OC3C(C2O1)OC(O3)(C)C)CN=[N+]=[N-])C
InChI
InChI=1S/C12H19N3O5/c1-11(2)17-7-6(5-14-15-13)16-10-9(8(7)18-11)19-12(3,4)20-10/h6-10H,5H2,1-4H3
InChIKey
KIBLVBPHQCVUFG-UHFFFAOYSA-N
Compound name
8-(azidomethyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

285.13248 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.13976 162.8
[M+Na]+ 308.12170 169.7
[M-H]- 284.12520 172.8
[M+NH4]+ 303.16630 181.0
[M+K]+ 324.09564 168.8
[M+H-H2O]+ 268.12974 164.4
[M+HCOO]- 330.13068 181.9
[M+CH3COO]- 344.14633 204.2
[M+Na-2H]- 306.10715 174.0
[M]+ 285.13193 165.5
[M]- 285.13303 165.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe