CID 932758

560995-24-6

Structural Information

Molecular Formula
C10H16N4O2S
SMILES
C1CCC(CC1)C2=NN=C(N2N)SCC(=O)O
InChI
InChI=1S/C10H16N4O2S/c11-14-9(7-4-2-1-3-5-7)12-13-10(14)17-6-8(15)16/h7H,1-6,11H2,(H,15,16)
InChIKey
KNMIWOVWBTUIMK-UHFFFAOYSA-N
Compound name
2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.0994 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.10668 156.6
[M+Na]+ 279.08862 164.6
[M+NH4]+ 274.13322 162.5
[M+K]+ 295.06256 160.6
[M-H]- 255.09212 157.1
[M+Na-2H]- 277.07407 159.4
[M]+ 256.09885 157.8
[M]- 256.09995 157.8
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.