CID 99998415

2138180-95-5

Structural Information

Molecular Formula
C6H11NO4S
SMILES
CS(=O)(=O)[C@@H]1C[C@@]1(CN)C(=O)O
InChI
InChI=1S/C6H11NO4S/c1-12(10,11)4-2-6(4,3-7)5(8)9/h4H,2-3,7H2,1H3,(H,8,9)/t4-,6+/m1/s1
InChIKey
GQIVHYYLGOFGOD-XINAWCOVSA-N
Compound name
(1R,2R)-1-(aminomethyl)-2-methylsulfonylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.04088 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04816 144.3
[M+Na]+ 216.03010 152.9
[M+NH4]+ 211.07470 151.9
[M+K]+ 232.00404 148.7
[M-H]- 192.03360 149.4
[M+Na-2H]- 214.01555 149.7
[M]+ 193.04033 148.3
[M]- 193.04143 148.3
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.