CID 155978417

3-(methylsulfanyl)azetidine-3-carbonitrile hydrochloride

Structural Information

Molecular Formula
C5H8N2S
SMILES
CSC1(CNC1)C#N
InChI
InChI=1S/C5H8N2S/c1-8-5(2-6)3-7-4-5/h7H,3-4H2,1H3
InChIKey
FAOXVKHUYXLYQW-UHFFFAOYSA-N
Compound name
3-methylsulfanylazetidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.04082 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.04810 120.1
[M+Na]+ 151.03004 127.9
[M-H]- 127.03354 121.9
[M+NH4]+ 146.07464 134.7
[M+K]+ 167.00398 130.2
[M+H-H2O]+ 111.03808 104.6
[M+HCOO]- 173.03902 131.9
[M+CH3COO]- 187.05467 183.7
[M+Na-2H]- 149.01549 125.0
[M]+ 128.04027 122.4
[M]- 128.04137 122.4
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.