CID 9577995

Sabcomeline

Structural Information

Molecular Formula
C10H15N3O
SMILES
CO/N=C(\C#N)/[C@H]1CN2CCC1CC2
InChI
InChI=1S/C10H15N3O/c1-14-12-10(6-11)9-7-13-4-2-8(9)3-5-13/h8-9H,2-5,7H2,1H3/b12-10+/t9-/m0/s1
InChIKey
IQWCBYSUUOFOMF-QTLFRQQHSA-N
Compound name
(3Z,3R)-N-methoxy-1-azabicyclo[2.2.2]octane-3-carboximidoyl cyanide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

72
Patents

193.1215 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.12878 152.0
[M+Na]+ 216.11072 160.4
[M+NH4]+ 211.15532 158.1
[M+K]+ 232.08466 150.5
[M-H]- 192.11422 143.3
[M+Na-2H]- 214.09617 147.7
[M]+ 193.12095 149.7
[M]- 193.12205 149.7
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