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

499
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]+ 120.04198 128.5
[M-H]- 96.045489 118.8
[M+NH4]+ 115.08659 139.6
[M+K]+ 136.01592 127.4
[M+H-H2O]+ 80.050025 109.0
[M+HCOO]- 142.05097 137.7
[M+CH3COO]- 156.06662 177.9
[M+Na-2H]- 118.02743 124.2
[M]+ 97.052216 112.8
[M]- 97.053314 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