CID 16754104

2-allyl-2-benzylacetamide

Structural Information

Molecular Formula
C12H15NO
SMILES
C=CC[C@H](CC1=CC=CC=C1)C(=O)N
InChI
InChI=1S/C12H15NO/c1-2-6-11(12(13)14)9-10-7-4-3-5-8-10/h2-5,7-8,11H,1,6,9H2,(H2,13,14)/t11-/m1/s1
InChIKey
RKJWJARHPAEWOX-LLVKDONJSA-N
Compound name
(2R)-2-benzylpent-4-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.11537 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.12265 144.1
[M+Na]+ 212.10459 149.4
[M-H]- 188.10809 146.7
[M+NH4]+ 207.14919 162.8
[M+K]+ 228.07853 146.6
[M+H-H2O]+ 172.11263 137.7
[M+HCOO]- 234.11357 166.7
[M+CH3COO]- 248.12922 186.5
[M+Na-2H]- 210.09004 147.4
[M]+ 189.11482 142.1
[M]- 189.11592 142.1
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

No patent data available for this compound.