CID 4720499

892571-40-3

Structural Information

Molecular Formula
C10H18N2S
SMILES
CC1=C(SC=C1)CNCCN(C)C
InChI
InChI=1S/C10H18N2S/c1-9-4-7-13-10(9)8-11-5-6-12(2)3/h4,7,11H,5-6,8H2,1-3H3
InChIKey
HOQVIAASWUNQTM-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.11906 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.12634 145.4
[M+Na]+ 221.10828 151.9
[M-H]- 197.11178 150.5
[M+NH4]+ 216.15288 167.4
[M+K]+ 237.08222 150.2
[M+H-H2O]+ 181.11632 138.7
[M+HCOO]- 243.11726 167.3
[M+CH3COO]- 257.13291 192.6
[M+Na-2H]- 219.09373 146.7
[M]+ 198.11851 148.7
[M]- 198.11961 148.7
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

No patent data available for this compound.