CID 57857974

1085526-16-4

Structural Information

Molecular Formula
C7H15NOS
SMILES
CS(=N)(=O)C1CCCCC1
InChI
InChI=1S/C7H15NOS/c1-10(8,9)7-5-3-2-4-6-7/h7-8H,2-6H2,1H3
InChIKey
NZOGGUYRXOWSOB-UHFFFAOYSA-N
Compound name
cyclohexyl-imino-methyl-oxo-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

161.08743 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.094706 133.0
[M+Na]+ 184.076648 138.3
[M-H]- 160.080154 136.0
[M+NH4]+ 179.121253 153.8
[M+K]+ 200.050588 136.2
[M+H-H2O]+ 144.084690 127.8
[M+HCOO]- 206.085631 148.5
[M+CH3COO]- 220.101281 175.7
[M+Na-2H]- 182.062096 136.9
[M]+ 161.08688142 128.9
[M]- 161.08797858 128.9
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

patents stripe