CID 122667480

2-(1-(cyclopropylsulfonyl)azetidin-3-ylidene)acetonitrile

Structural Information

Molecular Formula
C8H10N2O2S
SMILES
C1CC1S(=O)(=O)N2CC(=CC#N)C2
InChI
InChI=1S/C8H10N2O2S/c9-4-3-7-5-10(6-7)13(11,12)8-1-2-8/h3,8H,1-2,5-6H2
InChIKey
HCRPLJAPJBCTMH-UHFFFAOYSA-N
Compound name
2-(1-cyclopropylsulfonylazetidin-3-ylidene)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

198.0463 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05358 136.8
[M+Na]+ 221.03552 149.5
[M-H]- 197.03902 144.1
[M+NH4]+ 216.08012 145.3
[M+K]+ 237.00946 148.2
[M+H-H2O]+ 181.04356 121.9
[M+HCOO]- 243.04450 150.5
[M+CH3COO]- 257.06015 197.5
[M+Na-2H]- 219.02097 141.2
[M]+ 198.04575 143.9
[M]- 198.04685 143.9
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

patents stripe