CID 10606836

7-methoxy-4-methyl-3,4,5,6-tetrahydro-2h-azepine

Structural Information

Molecular Formula
C8H15NO
SMILES
CC1CCC(=NCC1)OC
InChI
InChI=1S/C8H15NO/c1-7-3-4-8(10-2)9-6-5-7/h7H,3-6H2,1-2H3
InChIKey
AKWJIXUSCFEZGI-UHFFFAOYSA-N
Compound name
7-methoxy-4-methyl-3,4,5,6-tetrahydro-2H-azepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

141.11537 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 124.6
[M+Na]+ 164.10459 129.5
[M-H]- 140.10809 127.7
[M+NH4]+ 159.14919 143.7
[M+K]+ 180.07853 133.2
[M+H-H2O]+ 124.11263 118.9
[M+HCOO]- 186.11357 144.8
[M+CH3COO]- 200.12922 176.4
[M+Na-2H]- 162.09004 130.6
[M]+ 141.11482 120.5
[M]- 141.11592 120.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe