CID 19825238

P-aminoethylbenzaldehyde hcl

Structural Information

Molecular Formula
C9H11NO
SMILES
C1=CC(=CC=C1CCN)C=O
InChI
InChI=1S/C9H11NO/c10-6-5-8-1-3-9(7-11)4-2-8/h1-4,7H,5-6,10H2
InChIKey
ZIGUFSQHAGLYHM-UHFFFAOYSA-N
Compound name
4-(2-aminoethyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

149.08406 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 130.6
[M+Na]+ 172.07328 143.0
[M+NH4]+ 167.11788 139.4
[M+K]+ 188.04722 136.2
[M-H]- 148.07678 133.4
[M+Na-2H]- 170.05873 137.9
[M]+ 149.08351 133.1
[M]- 149.08461 133.1
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