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

0
Patents

147.0354 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.04268 128.2
[M+Na]+ 170.02462 133.0
[M-H]- 146.02812 127.5
[M+NH4]+ 165.06922 142.2
[M+K]+ 185.99856 134.2
[M+H-H2O]+ 130.03266 118.2
[M+HCOO]- 192.03360 140.3
[M+CH3COO]- 206.04925 170.6
[M+Na-2H]- 168.01007 130.9
[M]+ 147.03485 135.3
[M]- 147.03595 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.