CID 80576661

2089257-35-0

Structural Information

Molecular Formula
C9H12N2O2S
SMILES
CC1CC1NC2=NC(=CS2)CC(=O)O
InChI
InChI=1S/C9H12N2O2S/c1-5-2-7(5)11-9-10-6(4-14-9)3-8(12)13/h4-5,7H,2-3H2,1H3,(H,10,11)(H,12,13)
InChIKey
ZJSOXDUQAVHESJ-UHFFFAOYSA-N
Compound name
2-[2-[(2-methylcyclopropyl)amino]-1,3-thiazol-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.06195 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.06923 140.7
[M+Na]+ 235.05117 150.3
[M-H]- 211.05467 146.1
[M+NH4]+ 230.09577 154.9
[M+K]+ 251.02511 145.8
[M+H-H2O]+ 195.05921 134.3
[M+HCOO]- 257.06015 159.0
[M+CH3COO]- 271.07580 188.0
[M+Na-2H]- 233.03662 141.7
[M]+ 212.06140 144.9
[M]- 212.06250 144.9
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.