CID 12632920

1-ethynylcyclopentan-1-amine hydrochloride

Structural Information

Molecular Formula
C7H11N
SMILES
C#CC1(CCCC1)N
InChI
InChI=1S/C7H11N/c1-2-7(8)5-3-4-6-7/h1H,3-6,8H2
InChIKey
KCTXFYBEKPTOEW-UHFFFAOYSA-N
Compound name
1-ethynylcyclopentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

109.08915 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.096426 125.3
[M+Na]+ 132.078368 134.8
[M-H]- 108.081874 127.2
[M+NH4]+ 127.122973 148.4
[M+K]+ 148.052308 130.7
[M+H-H2O]+ 92.086410 114.9
[M+HCOO]- 154.087351 143.1
[M+CH3COO]- 168.103001 177.7
[M+Na-2H]- 130.063816 129.9
[M]+ 109.08860142 115.5
[M]- 109.08969858 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

No literature data available for this compound.

Patent stripe

patents stripe