CID 64160

Formoiodine

Structural Information

Molecular Formula
C8H17N4
SMILES
CC[N+]12CN3CN(C1)CN(C3)C2
InChI
InChI=1S/C8H17N4/c1-2-12-6-9-3-10(7-12)5-11(4-9)8-12/h2-8H2,1H3/q+1
InChIKey
AXFGHOCOWXFFAA-UHFFFAOYSA-N
Compound name
1-ethyl-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

169.14532 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.15260 134.5
[M+Na]+ 192.13454 138.6
[M-H]- 168.13804 125.4
[M+NH4]+ 187.17914 156.5
[M+K]+ 208.10848 131.4
[M+H-H2O]+ 152.14258 128.1
[M+HCOO]- 214.14352 138.4
[M+CH3COO]- 228.15917 142.9
[M+Na-2H]- 190.11999 150.2
[M]+ 169.14477 133.3
[M]- 169.14587 133.3
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