CID 362134

Nsc625710

Structural Information

Molecular Formula
C15H22N2S
SMILES
C1CCC2(C(C1)C3C2(CC3)C#N)N4CCSCC4
InChI
InChI=1S/C15H22N2S/c16-11-14-6-4-12(14)13-3-1-2-5-15(13,14)17-7-9-18-10-8-17/h12-13H,1-10H2
InChIKey
OGGHWFPTMOKFNU-UHFFFAOYSA-N
Compound name
1-thiomorpholin-4-yltricyclo[4.4.0.02,5]decane-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.15036 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.15764 142.6
[M+Na]+ 285.13958 147.2
[M-H]- 261.14308 147.1
[M+NH4]+ 280.18418 150.0
[M+K]+ 301.11352 148.3
[M+H-H2O]+ 245.14762 123.4
[M+HCOO]- 307.14856 146.9
[M+CH3COO]- 321.16421 150.5
[M+Na-2H]- 283.12503 146.5
[M]+ 262.14981 148.9
[M]- 262.15091 148.9
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.