CID 208063

1-butanone, 4-(diisopropylamino)-1-(3-thienyl)-, hydrobromide

Structural Information

Molecular Formula
C14H23NOS
SMILES
CC(C)N(CCCC(=O)C1=CSC=C1)C(C)C
InChI
InChI=1S/C14H23NOS/c1-11(2)15(12(3)4)8-5-6-14(16)13-7-9-17-10-13/h7,9-12H,5-6,8H2,1-4H3
InChIKey
YINKCEBMIIQQPZ-UHFFFAOYSA-N
Compound name
4-[di(propan-2-yl)amino]-1-thiophen-3-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.15004 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.15732 164.8
[M+Na]+ 276.13926 168.9
[M-H]- 252.14276 169.2
[M+NH4]+ 271.18386 184.3
[M+K]+ 292.11320 167.8
[M+H-H2O]+ 236.14730 157.9
[M+HCOO]- 298.14824 181.7
[M+CH3COO]- 312.16389 202.2
[M+Na-2H]- 274.12471 160.9
[M]+ 253.14949 168.9
[M]- 253.15059 168.9
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

No patent data available for this compound.