CID 16226725

2-(1-methyl-1h-pyrrol-2-yl)azepane

Structural Information

Molecular Formula
C11H18N2
SMILES
CN1C=CC=C1C2CCCCCN2
InChI
InChI=1S/C11H18N2/c1-13-9-5-7-11(13)10-6-3-2-4-8-12-10/h5,7,9-10,12H,2-4,6,8H2,1H3
InChIKey
ZVMWDOYUTMVFNV-UHFFFAOYSA-N
Compound name
2-(1-methylpyrrol-2-yl)azepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.147 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.15428 141.5
[M+Na]+ 201.13622 150.5
[M+NH4]+ 196.18082 149.2
[M+K]+ 217.11016 147.3
[M-H]- 177.13972 143.5
[M+Na-2H]- 199.12167 147.3
[M]+ 178.14645 143.2
[M]- 178.14755 143.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.