CID 4323371

N-benzylprop-2-ynamide

Structural Information

Molecular Formula
C10H9NO
SMILES
C#CC(=O)NCC1=CC=CC=C1
InChI
InChI=1S/C10H9NO/c1-2-10(12)11-8-9-6-4-3-5-7-9/h1,3-7H,8H2,(H,11,12)
InChIKey
RNDFRWFHFZMEBE-UHFFFAOYSA-N
Compound name
N-benzylprop-2-ynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

29
Patents

159.06842 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.075696 137.2
[M+Na]+ 182.057638 146.2
[M-H]- 158.061144 139.1
[M+NH4]+ 177.102243 155.2
[M+K]+ 198.031578 142.3
[M+H-H2O]+ 142.065680 125.2
[M+HCOO]- 204.066621 155.9
[M+CH3COO]- 218.082271 187.2
[M+Na-2H]- 180.043086 142.6
[M]+ 159.06787142 130.7
[M]- 159.06896858 130.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe