CID 6894250

113875-06-2

Structural Information

Molecular Formula
C9H10N2OS
SMILES
C1CC1C(=O)N/N=C/C2=CC=CS2
InChI
InChI=1S/C9H10N2OS/c12-9(7-3-4-7)11-10-6-8-2-1-5-13-8/h1-2,5-7H,3-4H2,(H,11,12)/b10-6+
InChIKey
WQCIBERJKZYXCC-UXBLZVDNSA-N
Compound name
N-[(E)-thiophen-2-ylmethylideneamino]cyclopropanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.05139 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.058666 135.6
[M+Na]+ 217.040608 144.1
[M-H]- 193.044114 144.5
[M+NH4]+ 212.085213 152.4
[M+K]+ 233.014548 140.8
[M+H-H2O]+ 177.048650 128.8
[M+HCOO]- 239.049591 159.0
[M+CH3COO]- 253.065241 188.9
[M+Na-2H]- 215.026056 139.3
[M]+ 194.05084142 139.2
[M]- 194.05193858 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

literature stripe

Patent stripe

No patent data available for this compound.