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]+ 185.11070 142.4
[M+Na]+ 207.09264 148.1
[M-H]- 183.09614 146.8
[M+NH4]+ 202.13724 164.3
[M+K]+ 223.06658 146.9
[M+H-H2O]+ 167.10068 135.7
[M+HCOO]- 229.10162 162.9
[M+CH3COO]- 243.11727 188.6
[M+Na-2H]- 205.07809 142.7
[M]+ 184.10287 143.3
[M]- 184.10397 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.