CID 87365843

Iminodipropyl-lambda6-sulfanone

Structural Information

Molecular Formula
C6H15NOS
SMILES
CCCS(=N)(=O)CCC
InChI
InChI=1S/C6H15NOS/c1-3-5-9(7,8)6-4-2/h7H,3-6H2,1-2H3
InChIKey
XYCNIAHDPCZQAR-UHFFFAOYSA-N
Compound name
imino-oxo-dipropyl-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

149.08743 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09471 131.1
[M+Na]+ 172.07665 138.4
[M-H]- 148.08015 131.7
[M+NH4]+ 167.12125 152.8
[M+K]+ 188.05059 136.4
[M+H-H2O]+ 132.08469 126.4
[M+HCOO]- 194.08563 149.4
[M+CH3COO]- 208.10128 176.4
[M+Na-2H]- 170.06210 135.4
[M]+ 149.08688 133.1
[M]- 149.08798 133.1
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