CID 140995

23069-99-0

Structural Information

Molecular Formula
C9H11NO
SMILES
C1=CC=C(C=C1)CCNC=O
InChI
InChI=1S/C9H11NO/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,10,11)
InChIKey
NOOOMJZHMKSKBF-UHFFFAOYSA-N
Compound name
N-(2-phenylethyl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2084
Patents

149.08406 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.091336 129.7
[M+Na]+ 172.073278 136.5
[M-H]- 148.076784 133.2
[M+NH4]+ 167.117883 150.6
[M+K]+ 188.047218 134.5
[M+H-H2O]+ 132.081320 123.7
[M+HCOO]- 194.082261 155.8
[M+CH3COO]- 208.097911 177.3
[M+Na-2H]- 170.058726 138.3
[M]+ 149.08351142 129.6
[M]- 149.08460858 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