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]+ 149.04195 137.3
[M+Na]+ 171.02389 149.0
[M-H]- 147.02739 140.6
[M+NH4]+ 166.06849 159.0
[M+K]+ 186.99783 144.4
[M+H-H2O]+ 131.03193 126.4
[M+HCOO]- 193.03287 152.2
[M+CH3COO]- 207.04852 180.3
[M+Na-2H]- 169.00934 138.8
[M]+ 148.03412 133.6
[M]- 148.03522 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