CID 130782120

1374032-43-5

Structural Information

Molecular Formula
C7H13NO2S
SMILES
CC1([C@H](N(CS1)C)C(=O)O)C
InChI
InChI=1S/C7H13NO2S/c1-7(2)5(6(9)10)8(3)4-11-7/h5H,4H2,1-3H3,(H,9,10)/t5-/m1/s1
InChIKey
NWAITXJQZNBRGI-RXMQYKEDSA-N
Compound name
(4R)-3,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.0667 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.073976 135.3
[M+Na]+ 198.055918 143.8
[M-H]- 174.059424 136.8
[M+NH4]+ 193.100523 158.2
[M+K]+ 214.029858 142.4
[M+H-H2O]+ 158.063960 131.4
[M+HCOO]- 220.064901 149.9
[M+CH3COO]- 234.080551 175.8
[M+Na-2H]- 196.041366 135.6
[M]+ 175.06615142 136.1
[M]- 175.06724858 136.1
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.