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]+ 179.154276 139.3
[M+Na]+ 201.136218 143.0
[M-H]- 177.139724 142.2
[M+NH4]+ 196.180823 156.1
[M+K]+ 217.110158 143.3
[M+H-H2O]+ 161.144260 131.0
[M+HCOO]- 223.145201 156.3
[M+CH3COO]- 237.160851 150.0
[M+Na-2H]- 199.121666 141.7
[M]+ 178.14645142 130.4
[M]- 178.14754858 130.4
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.