CID 165616940

1,1-dimethyl-3-(prop-2-yn-1-yl)cyclopentane

Structural Information

Molecular Formula
C10H16
SMILES
CC1(CCC(C1)CC#C)C
InChI
InChI=1S/C10H16/c1-4-5-9-6-7-10(2,3)8-9/h1,9H,5-8H2,2-3H3
InChIKey
BLVWRKPXKUNYIZ-UHFFFAOYSA-N
Compound name
1,1-dimethyl-3-prop-2-ynylcyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.1252 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.13248 130.3
[M+Na]+ 159.11442 140.5
[M-H]- 135.11792 132.9
[M+NH4]+ 154.15902 153.6
[M+K]+ 175.08836 136.0
[M+H-H2O]+ 119.12246 120.3
[M+HCOO]- 181.12340 147.2
[M+CH3COO]- 195.13905 183.3
[M+Na-2H]- 157.09987 134.0
[M]+ 136.12465 123.6
[M]- 136.12575 123.6
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

No patent data available for this compound.