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

92
Patents

191.13101 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 142.5
[M+Na]+ 214.12023 150.2
[M-H]- 190.12373 147.8
[M+NH4]+ 209.16483 163.1
[M+K]+ 230.09417 148.9
[M+H-H2O]+ 174.12827 136.3
[M+HCOO]- 236.12921 168.1
[M+CH3COO]- 250.14486 192.2
[M+Na-2H]- 212.10568 147.4
[M]+ 191.13046 145.6
[M]- 191.13156 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