CID 97904

N-(1-phenylethyl)formamide

Structural Information

Molecular Formula
C9H11NO
SMILES
CC(C1=CC=CC=C1)NC=O
InChI
InChI=1S/C9H11NO/c1-8(10-7-11)9-5-3-2-4-6-9/h2-8H,1H3,(H,10,11)
InChIKey
CDHCCWRMWKZBGE-UHFFFAOYSA-N
Compound name
N-(1-phenylethyl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

367
Patents

149.08406 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 130.4
[M+Na]+ 172.07328 136.9
[M-H]- 148.07678 134.0
[M+NH4]+ 167.11788 151.2
[M+K]+ 188.04722 135.4
[M+H-H2O]+ 132.08132 124.5
[M+HCOO]- 194.08226 155.4
[M+CH3COO]- 208.09791 178.1
[M+Na-2H]- 170.05873 137.7
[M]+ 149.08351 129.6
[M]- 149.08461 129.6
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