CID 45049

(+-)-alpha-(1-(propylamino)ethyl)benzaldehyde hydrochloride

Structural Information

Molecular Formula
C12H17NO
SMILES
CCCNC(C)C(=O)C1=CC=CC=C1
InChI
InChI=1S/C12H17NO/c1-3-9-13-10(2)12(14)11-7-5-4-6-8-11/h4-8,10,13H,3,9H2,1-2H3
InChIKey
GXPFWFAQFTVCDU-UHFFFAOYSA-N
Compound name
1-phenyl-2-(propylamino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

191.13101 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 144.9
[M+Na]+ 214.12023 149.9
[M-H]- 190.12373 148.0
[M+NH4]+ 209.16483 163.9
[M+K]+ 230.09417 148.0
[M+H-H2O]+ 174.12827 138.4
[M+HCOO]- 236.12921 167.9
[M+CH3COO]- 250.14486 188.1
[M+Na-2H]- 212.10568 149.2
[M]+ 191.13046 144.6
[M]- 191.13156 144.6
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