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

32
Patents

141.11537 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.122646 124.6
[M+Na]+ 164.104588 129.5
[M-H]- 140.108094 127.7
[M+NH4]+ 159.149193 143.7
[M+K]+ 180.078528 133.2
[M+H-H2O]+ 124.112630 118.9
[M+HCOO]- 186.113571 144.8
[M+CH3COO]- 200.129221 176.4
[M+Na-2H]- 162.090036 130.6
[M]+ 141.11482142 120.5
[M]- 141.11591858 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