CID 3047299

2-(tert-butylamino)propiophenone hydrochloride

Structural Information

Molecular Formula
C13H19NO
SMILES
CC(C(=O)C1=CC=CC=C1)NC(C)(C)C
InChI
InChI=1S/C13H19NO/c1-10(14-13(2,3)4)12(15)11-8-6-5-7-9-11/h5-10,14H,1-4H3
InChIKey
JQNSRSIGKZYQAA-UHFFFAOYSA-N
Compound name
2-(tert-butylamino)-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

59
Patents

205.14667 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.15395 148.7
[M+Na]+ 228.13589 153.9
[M-H]- 204.13939 152.0
[M+NH4]+ 223.18049 167.4
[M+K]+ 244.10983 152.3
[M+H-H2O]+ 188.14393 142.8
[M+HCOO]- 250.14487 169.9
[M+CH3COO]- 264.16052 190.7
[M+Na-2H]- 226.12134 153.3
[M]+ 205.14612 148.3
[M]- 205.14722 148.3
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