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]+ 129.048096 120.1
[M+Na]+ 151.030038 127.9
[M-H]- 127.033544 121.9
[M+NH4]+ 146.074643 134.7
[M+K]+ 167.003978 130.2
[M+H-H2O]+ 111.038080 104.6
[M+HCOO]- 173.039021 131.9
[M+CH3COO]- 187.054671 183.7
[M+Na-2H]- 149.015486 125.0
[M]+ 128.04027142 122.4
[M]- 128.04136858 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.