CID 155978166

3-(methylsulfanyl)azetidine-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C5H9NO2S
SMILES
CSC1(CNC1)C(=O)O
InChI
InChI=1S/C5H9NO2S/c1-9-5(4(7)8)2-6-3-5/h6H,2-3H2,1H3,(H,7,8)
InChIKey
CGDUHOLTGYUFTJ-UHFFFAOYSA-N
Compound name
3-methylsulfanylazetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

147.0354 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.042676 128.2
[M+Na]+ 170.024618 133.0
[M-H]- 146.028124 127.5
[M+NH4]+ 165.069223 142.2
[M+K]+ 185.998558 134.2
[M+H-H2O]+ 130.032660 118.2
[M+HCOO]- 192.033601 140.3
[M+CH3COO]- 206.049251 170.6
[M+Na-2H]- 168.010066 130.9
[M]+ 147.03485142 135.3
[M]- 147.03594858 135.3
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.