CID 12225170

2375268-95-2

Structural Information

Molecular Formula
C6H11N
SMILES
CCNCCC#C
InChI
InChI=1S/C6H11N/c1-3-5-6-7-4-2/h1,7H,4-6H2,2H3
InChIKey
UUXYNMAXFOIMGQ-UHFFFAOYSA-N
Compound name
N-ethylbut-3-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

97.08915 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.096426 118.9
[M+Na]+ 120.078368 127.7
[M-H]- 96.081874 118.7
[M+NH4]+ 115.122973 139.6
[M+K]+ 136.052308 126.4
[M+H-H2O]+ 80.086410 108.5
[M+HCOO]- 142.087351 138.0
[M+CH3COO]- 156.103001 179.7
[M+Na-2H]- 118.063816 125.7
[M]+ 97.08860142 113.6
[M]- 97.08969858 113.6
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