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]+ 137.132476 130.3
[M+Na]+ 159.114418 140.5
[M-H]- 135.117924 132.9
[M+NH4]+ 154.159023 153.6
[M+K]+ 175.088358 136.0
[M+H-H2O]+ 119.122460 120.3
[M+HCOO]- 181.123401 147.2
[M+CH3COO]- 195.139051 183.3
[M+Na-2H]- 157.099866 134.0
[M]+ 136.12465142 123.6
[M]- 136.12574858 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.