CID 3042859

L-cysteine, n-(2-thienylcarbonyl)-, methyl ester

Structural Information

Molecular Formula
C9H11NO3S2
SMILES
COC(=O)[C@H](CS)NC(=O)C1=CC=CS1
InChI
InChI=1S/C9H11NO3S2/c1-13-9(12)6(5-14)10-8(11)7-3-2-4-15-7/h2-4,6,14H,5H2,1H3,(H,10,11)/t6-/m0/s1
InChIKey
WLIPIVYUXABDSI-LURJTMIESA-N
Compound name
methyl (2R)-3-sulfanyl-2-(thiophene-2-carbonylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.01804 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.02532 154.7
[M+Na]+ 268.00726 160.8
[M-H]- 244.01076 158.0
[M+NH4]+ 263.05186 173.7
[M+K]+ 283.98120 158.3
[M+H-H2O]+ 228.01530 148.6
[M+HCOO]- 290.01624 167.5
[M+CH3COO]- 304.03189 190.3
[M+Na-2H]- 265.99271 152.6
[M]+ 245.01749 158.4
[M]- 245.01859 158.4
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.