CID 138567

6-methoxy-2,3,4,5-tetrahydropyridine

Structural Information

Molecular Formula
C6H11NO
SMILES
COC1=NCCCC1
InChI
InChI=1S/C6H11NO/c1-8-6-4-2-3-5-7-6/h2-5H2,1H3
InChIKey
YNTUHDRALXNDEQ-UHFFFAOYSA-N
Compound name
6-methoxy-2,3,4,5-tetrahydropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

228
Patents

113.08406 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 121.7
[M+Na]+ 136.07328 128.4
[M-H]- 112.07678 123.6
[M+NH4]+ 131.11788 143.1
[M+K]+ 152.04722 128.3
[M+H-H2O]+ 96.081320 115.7
[M+HCOO]- 158.08226 143.3
[M+CH3COO]- 172.09791 167.0
[M+Na-2H]- 134.05873 129.6
[M]+ 113.08351 119.5
[M]- 113.08461 119.5
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