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]+ 162.09471 133.0
[M+Na]+ 184.07665 138.3
[M-H]- 160.08015 136.0
[M+NH4]+ 179.12125 153.8
[M+K]+ 200.05059 136.2
[M+H-H2O]+ 144.08469 127.8
[M+HCOO]- 206.08563 148.5
[M+CH3COO]- 220.10128 175.7
[M+Na-2H]- 182.06210 136.9
[M]+ 161.08688 128.9
[M]- 161.08798 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