CID 122420492

2230799-74-1

Structural Information

Molecular Formula
C6H13NOS
SMILES
CS(=N)(=O)C1CCCC1
InChI
InChI=1S/C6H13NOS/c1-9(7,8)6-4-2-3-5-6/h6-7H,2-5H2,1H3
InChIKey
SDVNYRDRAZCLCC-UHFFFAOYSA-N
Compound name
cyclopentyl-imino-methyl-oxo-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

147.0718 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07908 130.7
[M+Na]+ 170.06102 137.6
[M-H]- 146.06452 134.3
[M+NH4]+ 165.10562 154.0
[M+K]+ 186.03496 135.8
[M+H-H2O]+ 130.06906 126.0
[M+HCOO]- 192.07000 148.7
[M+CH3COO]- 206.08565 172.4
[M+Na-2H]- 168.04647 133.8
[M]+ 147.07125 128.5
[M]- 147.07235 128.5
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