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

53
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]+ 120.07837 127.7
[M-H]- 96.081874 118.7
[M+NH4]+ 115.12297 139.6
[M+K]+ 136.05231 126.4
[M+H-H2O]+ 80.086410 108.5
[M+HCOO]- 142.08735 138.0
[M+CH3COO]- 156.10300 179.7
[M+Na-2H]- 118.06382 125.7
[M]+ 97.088601 113.6
[M]- 97.089699 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