CID 657469

Mls000028136

Structural Information

Molecular Formula
C11H13NO
SMILES
CC(=O)N[C@H]1C[C@@H]1C2=CC=CC=C2
InChI
InChI=1S/C11H13NO/c1-8(13)12-11-7-10(11)9-5-3-2-4-6-9/h2-6,10-11H,7H2,1H3,(H,12,13)/t10-,11+/m1/s1
InChIKey
OKNYZIGDRLPEEJ-MNOVXSKESA-N
Compound name
N-[(1S,2R)-2-phenylcyclopropyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

9
Patents

175.09972 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.106996 134.9
[M+Na]+ 198.088938 143.6
[M-H]- 174.092444 142.8
[M+NH4]+ 193.133543 150.2
[M+K]+ 214.062878 140.6
[M+H-H2O]+ 158.096980 128.4
[M+HCOO]- 220.097921 160.0
[M+CH3COO]- 234.113571 186.3
[M+Na-2H]- 196.074386 141.3
[M]+ 175.09917142 136.5
[M]- 175.10026858 136.5
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