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

63
Patents

141.11537 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 140.0
[M+Na]+ 164.10459 144.5
[M-H]- 140.10809 141.1
[M+NH4]+ 159.14919 149.2
[M+K]+ 180.07853 145.4
[M+H-H2O]+ 124.11263 136.4
[M+HCOO]- 186.11357 149.4
[M+CH3COO]- 200.12922 217.7
[M+Na-2H]- 162.09004 141.6
[M]+ 141.11482 138.9
[M]- 141.11592 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