CID 87534279

(e)-2-(pent-3-en-1-yn-1-yl)thiophene

Structural Information

Molecular Formula
C9H8S
SMILES
C/C=C/C#CC1=CC=CS1
InChI
InChI=1S/C9H8S/c1-2-3-4-6-9-7-5-8-10-9/h2-3,5,7-8H,1H3/b3-2+
InChIKey
XMQORXMEQVNDAC-NSCUHMNNSA-N
Compound name
2-[(E)-pent-3-en-1-ynyl]thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.03467 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.041946 137.3
[M+Na]+ 171.023888 149.0
[M-H]- 147.027394 140.6
[M+NH4]+ 166.068493 159.0
[M+K]+ 186.997828 144.4
[M+H-H2O]+ 131.031930 126.4
[M+HCOO]- 193.032871 152.2
[M+CH3COO]- 207.048521 180.3
[M+Na-2H]- 169.009336 138.8
[M]+ 148.03412142 133.6
[M]- 148.03521858 133.6
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