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]+ 176.07398 135.3
[M+Na]+ 198.05592 143.8
[M-H]- 174.05942 136.8
[M+NH4]+ 193.10052 158.2
[M+K]+ 214.02986 142.4
[M+H-H2O]+ 158.06396 131.4
[M+HCOO]- 220.06490 149.9
[M+CH3COO]- 234.08055 175.8
[M+Na-2H]- 196.04137 135.6
[M]+ 175.06615 136.1
[M]- 175.06725 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.