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

175
Patents

149.08406 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.091336 130.5
[M+Na]+ 172.073278 138.0
[M-H]- 148.076784 134.0
[M+NH4]+ 167.117883 151.4
[M+K]+ 188.047218 136.1
[M+H-H2O]+ 132.081320 124.9
[M+HCOO]- 194.082261 154.9
[M+CH3COO]- 208.097911 178.5
[M+Na-2H]- 170.058726 136.0
[M]+ 149.08351142 129.1
[M]- 149.08460858 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