CID 19825238

64353-37-3

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

32
Patents

149.08406 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.091336 129.9
[M+Na]+ 172.073278 137.8
[M-H]- 148.076784 133.3
[M+NH4]+ 167.117883 150.9
[M+K]+ 188.047218 135.4
[M+H-H2O]+ 132.081320 124.3
[M+HCOO]- 194.082261 155.4
[M+CH3COO]- 208.097911 177.7
[M+Na-2H]- 170.058726 136.8
[M]+ 149.08351142 129.2
[M]- 149.08460858 129.2
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