CID 205591

1-phenyl-2-(propylamino)-1-butanone hydrochloride

Structural Information

Molecular Formula
C13H19NO
SMILES
CCCNC(CC)C(=O)C1=CC=CC=C1
InChI
InChI=1S/C13H19NO/c1-3-10-14-12(4-2)13(15)11-8-6-5-7-9-11/h5-9,12,14H,3-4,10H2,1-2H3
InChIKey
XNTCZYUZTNQPMD-UHFFFAOYSA-N
Compound name
1-phenyl-2-(propylamino)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

205.14667 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.15395 149.6
[M+Na]+ 228.13589 154.1
[M-H]- 204.13939 152.5
[M+NH4]+ 223.18049 168.0
[M+K]+ 244.10983 152.0
[M+H-H2O]+ 188.14393 142.9
[M+HCOO]- 250.14487 172.2
[M+CH3COO]- 264.16052 191.1
[M+Na-2H]- 226.12134 153.3
[M]+ 205.14612 149.6
[M]- 205.14722 149.6
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