CID 103439264

N-(2-methylbut-3-yn-2-yl)cyclopropanamine

Structural Information

Molecular Formula
C8H13N
SMILES
CC(C)(C#C)NC1CC1
InChI
InChI=1S/C8H13N/c1-4-8(2,3)9-7-5-6-7/h1,7,9H,5-6H2,2-3H3
InChIKey
PCCWAIYQMJSKDR-UHFFFAOYSA-N
Compound name
N-(2-methylbut-3-yn-2-yl)cyclopropanamine
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 125.0
[M+Na]+ 146.094018 139.3
[M-H]- 122.097524 130.4
[M+NH4]+ 141.138623 142.3
[M+K]+ 162.067958 134.1
[M+H-H2O]+ 106.102060 116.6
[M+HCOO]- 168.103001 144.4
[M+CH3COO]- 182.118651 187.0
[M+Na-2H]- 144.079466 133.4
[M]+ 123.10425142 123.0
[M]- 123.10534858 123.0
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.