CID 28814417

2613298-95-4

Structural Information

Molecular Formula
C9H16N2S
SMILES
CN(C)CC[C@H](C1=CC=CS1)N
InChI
InChI=1S/C9H16N2S/c1-11(2)6-5-8(10)9-4-3-7-12-9/h3-4,7-8H,5-6,10H2,1-2H3/t8-/m1/s1
InChIKey
PPOFJNHBBGUKLF-MRVPVSSYSA-N
Compound name
(1R)-N',N'-dimethyl-1-thiophen-2-ylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.10342 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.110696 142.4
[M+Na]+ 207.092638 148.1
[M-H]- 183.096144 146.8
[M+NH4]+ 202.137243 164.3
[M+K]+ 223.066578 146.9
[M+H-H2O]+ 167.100680 135.7
[M+HCOO]- 229.101621 162.9
[M+CH3COO]- 243.117271 188.6
[M+Na-2H]- 205.078086 142.7
[M]+ 184.10287142 143.3
[M]- 184.10396858 143.3
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.