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]+ 209.11070 147.6
[M+Na]+ 231.09264 150.7
[M-H]- 207.09614 154.2
[M+NH4]+ 226.13724 165.8
[M+K]+ 247.06658 151.9
[M+H-H2O]+ 191.10068 139.7
[M+HCOO]- 253.10162 164.8
[M+CH3COO]- 267.11727 158.7
[M+Na-2H]- 229.07809 148.4
[M]+ 208.10287 142.0
[M]- 208.10397 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.