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]+ 179.08488 136.6
[M+Na]+ 201.06682 142.0
[M-H]- 177.07032 137.5
[M+NH4]+ 196.11142 153.3
[M+K]+ 217.04076 140.3
[M+H-H2O]+ 161.07486 130.7
[M+HCOO]- 223.07580 149.2
[M+CH3COO]- 237.09145 174.8
[M+Na-2H]- 199.05227 141.6
[M]+ 178.07705 132.7
[M]- 178.07815 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.