CID 9308

Muscarine

Structural Information

Molecular Formula
C9H20NO2
SMILES
C[C@H]1[C@@H](C[C@H](O1)C[N+](C)(C)C)O
InChI
InChI=1S/C9H20NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-9,11H,5-6H2,1-4H3/q+1/t7-,8-,9+/m0/s1
InChIKey
UQOFGTXDASPNLL-XHNCKOQMSA-N
Compound name
[(2S,4R,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

991
References

11587
Patents

174.1494 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.156676 136.6
[M+Na]+ 197.138618 143.1
[M-H]- 173.142124 141.1
[M+NH4]+ 192.183223 157.6
[M+K]+ 213.112558 138.4
[M+H-H2O]+ 157.146660 135.1
[M+HCOO]- 219.147601 157.5
[M+CH3COO]- 233.163251 176.8
[M+Na-2H]- 195.124066 144.2
[M]+ 174.14885142 135.5
[M]- 174.14994858 135.5
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