CID 12435392

66522-66-5

Structural Information

Molecular Formula
C9H11NO
SMILES
CC(=O)C1=CC=C(C=C1)CN
InChI
InChI=1S/C9H11NO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5H,6,10H2,1H3
InChIKey
SVUFTNBKCAMKND-UHFFFAOYSA-N
Compound name
1-[4-(aminomethyl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

154
Patents

149.08406 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 130.5
[M+Na]+ 172.07328 138.0
[M-H]- 148.07678 134.0
[M+NH4]+ 167.11788 151.4
[M+K]+ 188.04722 136.1
[M+H-H2O]+ 132.08132 124.9
[M+HCOO]- 194.08226 154.9
[M+CH3COO]- 208.09791 178.5
[M+Na-2H]- 170.05873 136.0
[M]+ 149.08351 129.1
[M]- 149.08461 129.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe