CID 11952

2-aminoacetophenone

Structural Information

Molecular Formula
C8H9NO
SMILES
C1=CC=C(C=C1)C(=O)CN
InChI
InChI=1S/C8H9NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6,9H2
InChIKey
HEQOJEGTZCTHCF-UHFFFAOYSA-N
Compound name
2-amino-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

112
References

21676
Patents

135.06842 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.07570 126.3
[M+Na]+ 158.05764 133.3
[M-H]- 134.06114 129.6
[M+NH4]+ 153.10224 147.4
[M+K]+ 174.03158 131.6
[M+H-H2O]+ 118.06568 120.6
[M+HCOO]- 180.06662 151.1
[M+CH3COO]- 194.08227 174.4
[M+Na-2H]- 156.04309 133.1
[M]+ 135.06787 124.2
[M]- 135.06897 124.2
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