CID 15172911

141345-08-6

Structural Information

Molecular Formula
C10H16
SMILES
C#CCCC1CCCCC1
InChI
InChI=1S/C10H16/c1-2-3-7-10-8-5-4-6-9-10/h1,10H,3-9H2
InChIKey
BDGRISORDYVXCC-UHFFFAOYSA-N
Compound name
but-3-ynylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

136.1252 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.13248 129.8
[M+Na]+ 159.11442 137.1
[M-H]- 135.11792 131.3
[M+NH4]+ 154.15902 149.1
[M+K]+ 175.08836 133.2
[M+H-H2O]+ 119.12246 118.7
[M+HCOO]- 181.12340 144.6
[M+CH3COO]- 195.13905 182.9
[M+Na-2H]- 157.09987 134.2
[M]+ 136.12465 120.5
[M]- 136.12575 120.5
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.