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
trans-(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]+ 194.048156 134.9
[M+Na]+ 216.030098 144.2
[M-H]- 192.033604 137.9
[M+NH4]+ 211.074703 150.5
[M+K]+ 232.004038 141.4
[M+H-H2O]+ 176.038140 131.1
[M+HCOO]- 238.039081 150.8
[M+CH3COO]- 252.054731 181.9
[M+Na-2H]- 214.015546 138.9
[M]+ 193.04033142 139.2
[M]- 193.04142858 139.2
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.