CID 5375106

Trans-4-(diethylamino)cinnamaldehyde

Structural Information

Molecular Formula
C13H17NO
SMILES
CCN(CC)C1=CC=C(C=C1)/C=C/C=O
InChI
InChI=1S/C13H17NO/c1-3-14(4-2)13-9-7-12(8-10-13)6-5-11-15/h5-11H,3-4H2,1-2H3/b6-5+
InChIKey
JXXOTBSUZDDHLT-AATRIKPKSA-N
Compound name
(E)-3-[4-(diethylamino)phenyl]prop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

348
Patents

203.13101 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.13829 146.7
[M+Na]+ 226.12023 153.3
[M-H]- 202.12373 151.5
[M+NH4]+ 221.16483 166.4
[M+K]+ 242.09417 151.1
[M+H-H2O]+ 186.12827 140.1
[M+HCOO]- 248.12921 172.2
[M+CH3COO]- 262.14486 192.5
[M+Na-2H]- 224.10568 151.7
[M]+ 203.13046 149.0
[M]- 203.13156 149.0
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