CID 3154216

626216-21-5

Structural Information

Molecular Formula
C9H16N2S
SMILES
CN(C)CCNCC1=CC=CS1
InChI
InChI=1S/C9H16N2S/c1-11(2)6-5-10-8-9-4-3-7-12-9/h3-4,7,10H,5-6,8H2,1-2H3
InChIKey
PDADLYSGRUBJJI-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

184.10342 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.110696 141.1
[M+Na]+ 207.092638 147.2
[M-H]- 183.096144 146.0
[M+NH4]+ 202.137243 163.4
[M+K]+ 223.066578 145.8
[M+H-H2O]+ 167.100680 134.4
[M+HCOO]- 229.101621 163.4
[M+CH3COO]- 243.117271 188.5
[M+Na-2H]- 205.078086 143.6
[M]+ 184.10287142 143.7
[M]- 184.10396858 143.7
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

patents stripe