CID 13400858

2253631-62-6

Structural Information

Molecular Formula
C6H11N
SMILES
CC(CC#C)NC
InChI
InChI=1S/C6H11N/c1-4-5-6(2)7-3/h1,6-7H,5H2,2-3H3
InChIKey
URJXDWOPIDOYLR-UHFFFAOYSA-N
Compound name
N-methylpent-4-yn-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

149
Patents

97.08915 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.096426 120.4
[M+Na]+ 120.078368 128.9
[M-H]- 96.081874 120.2
[M+NH4]+ 115.122973 141.1
[M+K]+ 136.052308 128.0
[M+H-H2O]+ 80.086410 110.0
[M+HCOO]- 142.087351 138.6
[M+CH3COO]- 156.103001 180.4
[M+Na-2H]- 118.063816 125.9
[M]+ 97.08860142 114.4
[M]- 97.08969858 114.4
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