CID 12377939

Methyl 2-(azepan-2-ylidene)acetate

Structural Information

Molecular Formula
C9H15NO2
SMILES
COC(=O)/C=C/1\CCCCCN1
InChI
InChI=1S/C9H15NO2/c1-12-9(11)7-8-5-3-2-4-6-10-8/h7,10H,2-6H2,1H3/b8-7+
InChIKey
MDEQSBWUWZBGQO-BQYQJAHWSA-N
Compound name
methyl (2E)-2-(azepan-2-ylidene)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

169.11028 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 135.5
[M+Na]+ 192.09950 142.8
[M+NH4]+ 187.14410 141.7
[M+K]+ 208.07344 139.6
[M-H]- 168.10300 135.0
[M+Na-2H]- 190.08495 139.1
[M]+ 169.10973 136.0
[M]- 169.11083 136.0
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

No patent data available for this compound.