CID 6366532

Einecs 304-890-4

Structural Information

Molecular Formula
C6H13NOS2
SMILES
C/C(=N/O)/C(C)(SC)SC
InChI
InChI=1S/C6H13NOS2/c1-5(7-8)6(2,9-3)10-4/h8H,1-4H3/b7-5-
InChIKey
OCKMYMYYFVZHNS-ALCCZGGFSA-N
Compound name
(NZ)-N-[3,3-bis(methylsulfanyl)butan-2-ylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

179.04385 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.051126 137.6
[M+Na]+ 202.033068 143.9
[M-H]- 178.036574 137.6
[M+NH4]+ 197.077673 157.8
[M+K]+ 218.007008 141.3
[M+H-H2O]+ 162.041110 132.2
[M+HCOO]- 224.042051 148.5
[M+CH3COO]- 238.057701 182.2
[M+Na-2H]- 200.018516 138.4
[M]+ 179.04330142 140.0
[M]- 179.04439858 140.0
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.