CID 139026528

2361634-16-2

Structural Information

Molecular Formula
C5H12N2OS
SMILES
CS(=N)(=O)CC1CNC1
InChI
InChI=1S/C5H12N2OS/c1-9(6,8)4-5-2-7-3-5/h5-7H,2-4H2,1H3
InChIKey
ZGYCJRHTHAZFFD-UHFFFAOYSA-N
Compound name
azetidin-3-ylmethyl-imino-methyl-oxo-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.06703 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07431 128.5
[M+Na]+ 171.05625 133.2
[M-H]- 147.05975 128.9
[M+NH4]+ 166.10085 141.1
[M+K]+ 187.03019 133.8
[M+H-H2O]+ 131.06429 116.9
[M+HCOO]- 193.06523 142.5
[M+CH3COO]- 207.08088 175.0
[M+Na-2H]- 169.04170 132.2
[M]+ 148.06648 134.2
[M]- 148.06758 134.2
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.