CID 14859132

136353-70-3

Structural Information

Molecular Formula
C10H14N2O2S
SMILES
CC1(N=N1)CCSC2C=CC3C(C2O)O3
InChI
InChI=1S/C10H14N2O2S/c1-10(11-12-10)4-5-15-7-3-2-6-9(14-6)8(7)13/h2-3,6-9,13H,4-5H2,1H3
InChIKey
YQXRPUYJCCCKEH-UHFFFAOYSA-N
Compound name
3-[2-(3-methyldiazirin-3-yl)ethylsulfanyl]-7-oxabicyclo[4.1.0]hept-4-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

226.0776 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08488 135.6
[M+Na]+ 249.06682 149.0
[M+NH4]+ 244.11142 145.2
[M+K]+ 265.04076 144.7
[M-H]- 225.07032 150.5
[M+Na-2H]- 247.05227 146.4
[M]+ 226.07705 144.3
[M]- 226.07815 144.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.