CID 217987

Brn 1318788

Structural Information

Molecular Formula
C11H17N3O2S
SMILES
CCCC[C@@H](C(=O)NN)NC(=O)C1=CC=CS1
InChI
InChI=1S/C11H17N3O2S/c1-2-3-5-8(10(15)14-12)13-11(16)9-6-4-7-17-9/h4,6-8H,2-3,5,12H2,1H3,(H,13,16)(H,14,15)/t8-/m0/s1
InChIKey
MBJRTHYVNOQFHR-QMMMGPOBSA-N
Compound name
N-[(2S)-1-hydrazinyl-1-oxohexan-2-yl]thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.10414 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.11142 160.0
[M+Na]+ 278.09336 163.5
[M-H]- 254.09686 162.6
[M+NH4]+ 273.13796 177.5
[M+K]+ 294.06730 161.2
[M+H-H2O]+ 238.10140 152.5
[M+HCOO]- 300.10234 179.1
[M+CH3COO]- 314.11799 199.1
[M+Na-2H]- 276.07881 158.7
[M]+ 255.10359 159.5
[M]- 255.10469 159.5
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.