CID 16795633

[2-amino-1-(thiophen-3-yl)ethyl]dimethylamine

Structural Information

Molecular Formula
C8H14N2S
SMILES
CN(C)C(CN)C1=CSC=C1
InChI
InChI=1S/C8H14N2S/c1-10(2)8(5-9)7-3-4-11-6-7/h3-4,6,8H,5,9H2,1-2H3
InChIKey
JLSSIEXZXYNSOE-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-thiophen-3-ylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

170.08777 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.095046 137.9
[M+Na]+ 193.076988 144.1
[M-H]- 169.080494 142.5
[M+NH4]+ 188.121593 160.3
[M+K]+ 209.050928 143.1
[M+H-H2O]+ 153.085030 131.4
[M+HCOO]- 215.085971 158.7
[M+CH3COO]- 229.101621 185.6
[M+Na-2H]- 191.062436 138.7
[M]+ 170.08722142 138.4
[M]- 170.08831858 138.4
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