CID 12469955

2-(ethylamino)benzaldehyde

Structural Information

Molecular Formula
C9H11NO
SMILES
CCNC1=CC=CC=C1C=O
InChI
InChI=1S/C9H11NO/c1-2-10-9-6-4-3-5-8(9)7-11/h3-7,10H,2H2,1H3
InChIKey
GIVCOZFRECSQKC-UHFFFAOYSA-N
Compound name
2-(ethylamino)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

705
Patents

149.08406 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.091336 129.3
[M+Na]+ 172.073278 137.1
[M-H]- 148.076784 133.3
[M+NH4]+ 167.117883 150.6
[M+K]+ 188.047218 135.1
[M+H-H2O]+ 132.081320 123.6
[M+HCOO]- 194.082261 155.4
[M+CH3COO]- 208.097911 178.4
[M+Na-2H]- 170.058726 137.3
[M]+ 149.08351142 129.6
[M]- 149.08460858 129.6
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