CID 601417

40106-14-7

Structural Information

Molecular Formula
C11H14N2S
SMILES
C1CCCC2=C(CC1)C(=C(S2)N)C#N
InChI
InChI=1S/C11H14N2S/c12-7-9-8-5-3-1-2-4-6-10(8)14-11(9)13/h1-6,13H2
InChIKey
FFMNIWGELAUZIJ-UHFFFAOYSA-N
Compound name
2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

206.08777 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.095046 154.1
[M+Na]+ 229.076988 160.2
[M-H]- 205.080494 156.1
[M+NH4]+ 224.121593 163.2
[M+K]+ 245.050928 158.8
[M+H-H2O]+ 189.085030 148.1
[M+HCOO]- 251.085971 160.1
[M+CH3COO]- 265.101621 158.4
[M+Na-2H]- 227.062436 152.5
[M]+ 206.08722142 151.0
[M]- 206.08831858 151.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.