CID 4723866

892593-13-4

Structural Information

Molecular Formula
C9H16N2S
SMILES
CN(C)CCNCC1=CSC=C1
InChI
InChI=1S/C9H16N2S/c1-11(2)5-4-10-7-9-3-6-12-8-9/h3,6,8,10H,4-5,7H2,1-2H3
InChIKey
AQFCIMZHLZBDBG-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

184.10342 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.11070 141.6
[M+Na]+ 207.09264 150.5
[M+NH4]+ 202.13724 150.9
[M+K]+ 223.06658 143.9
[M-H]- 183.09614 145.0
[M+Na-2H]- 205.07809 147.1
[M]+ 184.10287 144.1
[M]- 184.10397 144.1
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.