CID 12259572

4-(pyrrolidin-1-yl)but-2-yn-1-amine

Structural Information

Molecular Formula
C8H14N2
SMILES
C1CCN(C1)CC#CCN
InChI
InChI=1S/C8H14N2/c9-5-1-2-6-10-7-3-4-8-10/h3-9H2
InChIKey
JSKHCXNCPDYNFH-UHFFFAOYSA-N
Compound name
4-pyrrolidin-1-ylbut-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

138.11569 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.122966 130.9
[M+Na]+ 161.104908 138.6
[M-H]- 137.108414 130.5
[M+NH4]+ 156.149513 149.9
[M+K]+ 177.078848 135.3
[M+H-H2O]+ 121.112950 118.1
[M+HCOO]- 183.113891 147.1
[M+CH3COO]- 197.129541 182.0
[M+Na-2H]- 159.090356 134.0
[M]+ 138.11514142 121.3
[M]- 138.11623858 121.3
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

patents stripe