CID 103168894

1-cyclobutylbut-3-yn-2-amine hydrochloride

Structural Information

Molecular Formula
C8H13N
SMILES
C#CC(CC1CCC1)N
InChI
InChI=1S/C8H13N/c1-2-8(9)6-7-4-3-5-7/h1,7-8H,3-6,9H2
InChIKey
ODJNVFRRAHTFIC-UHFFFAOYSA-N
Compound name
1-cyclobutylbut-3-yn-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

123.1048 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.11208 125.6
[M+Na]+ 146.09402 131.8
[M-H]- 122.09752 127.3
[M+NH4]+ 141.13862 139.1
[M+K]+ 162.06796 133.6
[M+H-H2O]+ 106.10206 110.1
[M+HCOO]- 168.10300 141.2
[M+CH3COO]- 182.11865 186.5
[M+Na-2H]- 144.07947 129.0
[M]+ 123.10425 124.8
[M]- 123.10535 124.8
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.