CID 12261059

8-methoxy-2,3,4,5,6,7-hexahydroazocine

Structural Information

Molecular Formula
C8H15NO
SMILES
COC1=NCCCCCC1
InChI
InChI=1S/C8H15NO/c1-10-8-6-4-2-3-5-7-9-8/h2-7H2,1H3
InChIKey
CMDBTEDONMQAII-UHFFFAOYSA-N
Compound name
8-methoxy-2,3,4,5,6,7-hexahydroazocine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

141.11537 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.122646 140.0
[M+Na]+ 164.104588 144.5
[M-H]- 140.108094 141.1
[M+NH4]+ 159.149193 149.2
[M+K]+ 180.078528 145.4
[M+H-H2O]+ 124.112630 136.4
[M+HCOO]- 186.113571 149.4
[M+CH3COO]- 200.129221 217.7
[M+Na-2H]- 162.090036 141.6
[M]+ 141.11482142 138.9
[M]- 141.11591858 138.9
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