CID 83872

Biotin hydrazide

Structural Information

Molecular Formula
C10H18N4O2S
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NN)NC(=O)N2
InChI
InChI=1S/C10H18N4O2S/c11-14-8(15)4-2-1-3-7-9-6(5-17-7)12-10(16)13-9/h6-7,9H,1-5,11H2,(H,14,15)(H2,12,13,16)/t6-,7-,9-/m0/s1
InChIKey
KOZWHQPRAOJMBN-ZKWXMUAHSA-N
Compound name
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

58
References

2842
Patents

258.11505 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.12233 158.0
[M+Na]+ 281.10427 161.3
[M+NH4]+ 276.14887 163.3
[M+K]+ 297.07821 160.0
[M-H]- 257.10777 156.1
[M+Na-2H]- 279.08972 156.0
[M]+ 258.11450 157.4
[M]- 258.11560 157.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe