CID 165676009

2839156-49-7

Structural Information

Molecular Formula
C6H14N2O2S
SMILES
CS(=N)(=O)CC1CNCCO1
InChI
InChI=1S/C6H14N2O2S/c1-11(7,9)5-6-4-8-2-3-10-6/h6-8H,2-5H2,1H3
InChIKey
HOFLVTPAGQFDKB-UHFFFAOYSA-N
Compound name
imino-methyl-(morpholin-2-ylmethyl)-oxo-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.0776 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.084876 136.6
[M+Na]+ 201.066818 142.0
[M-H]- 177.070324 137.5
[M+NH4]+ 196.111423 153.3
[M+K]+ 217.040758 140.3
[M+H-H2O]+ 161.074860 130.7
[M+HCOO]- 223.075801 149.2
[M+CH3COO]- 237.091451 174.8
[M+Na-2H]- 199.052266 141.6
[M]+ 178.07705142 132.7
[M]- 178.07814858 132.7
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.