CID 3801349

(5-ethylthiophen-2-yl)methanamine

Structural Information

Molecular Formula
C7H11NS
SMILES
CCC1=CC=C(S1)CN
InChI
InChI=1S/C7H11NS/c1-2-6-3-4-7(5-8)9-6/h3-4H,2,5,8H2,1H3
InChIKey
YHFOIHQJJZYQHZ-UHFFFAOYSA-N
Compound name
(5-ethylthiophen-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

141.06122 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.068496 127.8
[M+Na]+ 164.050438 136.6
[M-H]- 140.053944 131.6
[M+NH4]+ 159.095043 151.7
[M+K]+ 180.024378 134.1
[M+H-H2O]+ 124.058480 122.7
[M+HCOO]- 186.059421 148.8
[M+CH3COO]- 200.075071 174.5
[M+Na-2H]- 162.035886 129.9
[M]+ 141.06067142 128.6
[M]- 141.06176858 128.6
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