CID 432027

2-pentyl-1,3-thiazolidine-4-carboxylic acid

Structural Information

Molecular Formula
C9H17NO2S
SMILES
CCCCCC1NC(CS1)C(=O)O
InChI
InChI=1S/C9H17NO2S/c1-2-3-4-5-8-10-7(6-13-8)9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKey
YAHGGWNXWOIXJD-UHFFFAOYSA-N
Compound name
2-pentyl-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

203.098 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.105276 147.4
[M+Na]+ 226.087218 152.9
[M-H]- 202.090724 146.4
[M+NH4]+ 221.131823 166.1
[M+K]+ 242.061158 149.8
[M+H-H2O]+ 186.095260 141.8
[M+HCOO]- 248.096201 159.8
[M+CH3COO]- 262.111851 178.5
[M+Na-2H]- 224.072666 145.2
[M]+ 203.09745142 146.2
[M]- 203.09854858 146.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe