CID 165746128

[2-(aminomethyl)but-3-yn-1-yl]cyclopropane hydrochloride

Structural Information

Molecular Formula
C8H13N
SMILES
C#CC(CC1CC1)CN
InChI
InChI=1S/C8H13N/c1-2-7(6-9)5-8-3-4-8/h1,7-8H,3-6,9H2
InChIKey
RYAFBPUDQNREPU-UHFFFAOYSA-N
Compound name
2-(cyclopropylmethyl)but-3-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

123.1048 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.112076 122.6
[M+Na]+ 146.094018 136.5
[M-H]- 122.097524 127.4
[M+NH4]+ 141.138623 139.5
[M+K]+ 162.067958 130.8
[M+H-H2O]+ 106.102060 113.8
[M+HCOO]- 168.103001 142.1
[M+CH3COO]- 182.118651 186.9
[M+Na-2H]- 144.079466 128.8
[M]+ 123.10425142 119.7
[M]- 123.10534858 119.7
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.