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]+ 124.11208 122.6
[M+Na]+ 146.09402 136.5
[M-H]- 122.09752 127.4
[M+NH4]+ 141.13862 139.5
[M+K]+ 162.06796 130.8
[M+H-H2O]+ 106.10206 113.8
[M+HCOO]- 168.10300 142.1
[M+CH3COO]- 182.11865 186.9
[M+Na-2H]- 144.07947 128.8
[M]+ 123.10425 119.7
[M]- 123.10535 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.