CID 1983

Acetaminophen

Structural Information

Molecular Formula
C8H9NO2
SMILES
CC(=O)NC1=CC=C(C=C1)O
InChI
InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
InChIKey
RZVAJINKPMORJF-UHFFFAOYSA-N
Compound name
N-(4-hydroxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

27910
References

43648
Patents

151.06332 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.070596 129.2
[M+Na]+ 174.052538 136.8
[M-H]- 150.056044 132.0
[M+NH4]+ 169.097143 149.6
[M+K]+ 190.026478 135.1
[M+H-H2O]+ 134.060580 123.8
[M+HCOO]- 196.061521 153.4
[M+CH3COO]- 210.077171 175.0
[M+Na-2H]- 172.037986 135.8
[M]+ 151.06277142 128.0
[M]- 151.06386858 128.0
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