CID 427018

1086639-59-9

Structural Information

Molecular Formula
C8H17N4O
SMILES
C1N2CN3CN1C[N+](C2)(C3)CCO
InChI
InChI=1S/C8H17N4O/c13-2-1-12-6-9-3-10(7-12)5-11(4-9)8-12/h13H,1-8H2/q+1
InChIKey
SQWGHMPVSMSPNY-UHFFFAOYSA-N
Compound name
2-(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decan-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

185.14024 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.14752 140.2
[M+Na]+ 208.12946 151.7
[M+NH4]+ 203.17406 152.2
[M+K]+ 224.10340 143.8
[M-H]- 184.13296 137.2
[M+Na-2H]- 206.11491 138.1
[M]+ 185.13969 141.3
[M]- 185.14079 141.3
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