CID 9554398

Hexahydro-1-(2-thenylideneamino)azepine

Structural Information

Molecular Formula
C11H16N2S
SMILES
C1CCCN(CC1)/N=C/C2=CC=CS2
InChI
InChI=1S/C11H16N2S/c1-2-4-8-13(7-3-1)12-10-11-6-5-9-14-11/h5-6,9-10H,1-4,7-8H2/b12-10+
InChIKey
FRPQKUWSXLTFKR-ZRDIBKRKSA-N
Compound name
(E)-N-(azepan-1-yl)-1-thiophen-2-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.10342 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.110696 147.6
[M+Na]+ 231.092638 150.7
[M-H]- 207.096144 154.2
[M+NH4]+ 226.137243 165.8
[M+K]+ 247.066578 151.9
[M+H-H2O]+ 191.100680 139.7
[M+HCOO]- 253.101621 164.8
[M+CH3COO]- 267.117271 158.7
[M+Na-2H]- 229.078086 148.4
[M]+ 208.10287142 142.0
[M]- 208.10396858 142.0
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.