CID 66695

4-(diethylamino)-2-methylbenzaldehyde

Structural Information

Molecular Formula
C12H17NO
SMILES
CCN(CC)C1=CC(=C(C=C1)C=O)C
InChI
InChI=1S/C12H17NO/c1-4-13(5-2)12-7-6-11(9-14)10(3)8-12/h6-9H,4-5H2,1-3H3
InChIKey
KCZRCYBAYWJVGD-UHFFFAOYSA-N
Compound name
4-(diethylamino)-2-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

115
Patents

191.13101 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.138286 142.5
[M+Na]+ 214.120228 150.2
[M-H]- 190.123734 147.8
[M+NH4]+ 209.164833 163.1
[M+K]+ 230.094168 148.9
[M+H-H2O]+ 174.128270 136.3
[M+HCOO]- 236.129211 168.1
[M+CH3COO]- 250.144861 192.2
[M+Na-2H]- 212.105676 147.4
[M]+ 191.13046142 145.6
[M]- 191.13155858 145.6
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