CID 57512591

1-cyclopropyl-3-ethynylbenzene

Structural Information

Molecular Formula
C11H10
SMILES
C#CC1=CC(=CC=C1)C2CC2
InChI
InChI=1S/C11H10/c1-2-9-4-3-5-11(8-9)10-6-7-10/h1,3-5,8,10H,6-7H2
InChIKey
SGRJWYJVVRURME-UHFFFAOYSA-N
Compound name
1-cyclopropyl-3-ethynylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.07825 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.08553 125.8
[M+Na]+ 165.06747 142.1
[M-H]- 141.07097 133.5
[M+NH4]+ 160.11207 142.6
[M+K]+ 181.04141 134.4
[M+H-H2O]+ 125.07551 116.6
[M+HCOO]- 187.07645 146.5
[M+CH3COO]- 201.09210 140.2
[M+Na-2H]- 163.05292 133.9
[M]+ 142.07770 123.8
[M]- 142.07880 123.8
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.