CID 45286064

N'-(3-cyano-4,5-dimethylthiophen-2-yl)-n,n-dimethylmethanimidamide

Structural Information

Molecular Formula
C10H13N3S
SMILES
CC1=C(SC(=C1C#N)/N=C/N(C)C)C
InChI
InChI=1S/C10H13N3S/c1-7-8(2)14-10(9(7)5-11)12-6-13(3)4/h6H,1-4H3/b12-6+
InChIKey
YVVFRWHFZXGSBV-WUXMJOGZSA-N
Compound name
N'-(3-cyano-4,5-dimethylthiophen-2-yl)-N,N-dimethylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.08302 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09030 150.7
[M+Na]+ 230.07224 161.6
[M-H]- 206.07574 157.6
[M+NH4]+ 225.11684 171.2
[M+K]+ 246.04618 159.9
[M+H-H2O]+ 190.08028 137.7
[M+HCOO]- 252.08122 170.2
[M+CH3COO]- 266.09687 207.8
[M+Na-2H]- 228.05769 151.0
[M]+ 207.08247 150.2
[M]- 207.08357 150.2
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.