CID 15283656

Pent-4-ynamide

Structural Information

Molecular Formula
C5H7NO
SMILES
C#CCCC(=O)N
InChI
InChI=1S/C5H7NO/c1-2-3-4-5(6)7/h1H,3-4H2,(H2,6,7)
InChIKey
KNEPBZMJMJUNQX-UHFFFAOYSA-N
Compound name
pent-4-ynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

470
Patents

97.052765 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.060041 119.3
[M+Na]+ 120.041983 128.5
[M-H]- 96.045489 118.8
[M+NH4]+ 115.086588 139.6
[M+K]+ 136.015923 127.4
[M+H-H2O]+ 80.050025 109.0
[M+HCOO]- 142.050966 137.7
[M+CH3COO]- 156.066616 177.9
[M+Na-2H]- 118.027431 124.2
[M]+ 97.05221642 112.8
[M]- 97.05331358 112.8
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