CID 104995745

1-cyclopentylbut-3-yn-2-amine hydrochloride

Structural Information

Molecular Formula
C9H15N
SMILES
C#CC(CC1CCCC1)N
InChI
InChI=1S/C9H15N/c1-2-9(10)7-8-5-3-4-6-8/h1,8-9H,3-7,10H2
InChIKey
JOKISAPPRHXRJS-UHFFFAOYSA-N
Compound name
1-cyclopentylbut-3-yn-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.12045 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.127726 134.6
[M+Na]+ 160.109668 141.9
[M-H]- 136.113174 135.6
[M+NH4]+ 155.154273 154.7
[M+K]+ 176.083608 138.3
[M+H-H2O]+ 120.117710 122.9
[M+HCOO]- 182.118651 150.7
[M+CH3COO]- 196.134301 184.3
[M+Na-2H]- 158.095116 135.9
[M]+ 137.11990142 124.4
[M]- 137.12099858 124.4
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.