CID 521007

(prop-2-yn-1-yl)cyclopentane

Structural Information

Molecular Formula
C8H12
SMILES
C#CCC1CCCC1
InChI
InChI=1S/C8H12/c1-2-5-8-6-3-4-7-8/h1,8H,3-7H2
InChIKey
VBTCAHMANZTRMG-UHFFFAOYSA-N
Compound name
prop-2-ynylcyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

458
Patents

108.0939 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.10118 123.6
[M+Na]+ 131.08312 132.6
[M-H]- 107.08662 125.5
[M+NH4]+ 126.12772 145.6
[M+K]+ 147.05706 129.0
[M+H-H2O]+ 91.091160 112.6
[M+HCOO]- 153.09210 140.8
[M+CH3COO]- 167.10775 177.4
[M+Na-2H]- 129.06857 127.7
[M]+ 108.09335 115.5
[M]- 108.09445 115.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe