CID 14919857

(but-3-yn-2-yl)(butyl)amine

Structural Information

Molecular Formula
C8H15N
SMILES
CCCCNC(C)C#C
InChI
InChI=1S/C8H15N/c1-4-6-7-9-8(3)5-2/h2,8-9H,4,6-7H2,1,3H3
InChIKey
KDSAVXVFCNHJEB-UHFFFAOYSA-N
Compound name
N-but-3-yn-2-ylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

125.12045 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.127726 128.3
[M+Na]+ 148.109668 136.2
[M-H]- 124.113174 127.9
[M+NH4]+ 143.154273 148.1
[M+K]+ 164.083608 134.8
[M+H-H2O]+ 108.117710 117.6
[M+HCOO]- 170.118651 146.0
[M+CH3COO]- 184.134301 185.8
[M+Na-2H]- 146.095116 132.9
[M]+ 125.11990142 123.1
[M]- 125.12099858 123.1
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