CID 499630

Nsc690225

Structural Information

Molecular Formula
C13H15NS3
SMILES
CN(C)C[C]1[CH][CH][CH][C]1SSS[C]2[CH][CH][CH][CH]2
InChI
InChI=1S/C13H15NS3/c1-14(2)10-11-6-5-9-13(11)16-17-15-12-7-3-4-8-12/h3-9H,10H2,1-2H3
InChIKey
KOOIZXFXBJIOBH-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.03665 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.04393 166.3
[M+Na]+ 304.02587 171.3
[M-H]- 280.02937 172.4
[M+NH4]+ 299.07047 186.5
[M+K]+ 319.99981 167.4
[M+H-H2O]+ 264.03391 160.9
[M+HCOO]- 326.03485 172.0
[M+CH3COO]- 340.05050 203.2
[M+Na-2H]- 302.01132 160.3
[M]+ 281.03610 165.9
[M]- 281.03720 165.9
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.