CID 6434801

Crotonamide, 2-bromo-n-(3-diethylaminopropyl)-

Structural Information

Molecular Formula
C11H21BrN2O
SMILES
CCN(CC)CCCNC(=O)/C(=C/C)/Br
InChI
InChI=1S/C11H21BrN2O/c1-4-10(12)11(15)13-8-7-9-14(5-2)6-3/h4H,5-9H2,1-3H3,(H,13,15)/b10-4-
InChIKey
VRIKJYQVLVEODZ-WMZJFQQLSA-N
Compound name
(Z)-2-bromo-N-[3-(diethylamino)propyl]but-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.08374 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.09102 161.6
[M+Na]+ 299.07296 168.7
[M-H]- 275.07646 164.9
[M+NH4]+ 294.11756 181.2
[M+K]+ 315.04690 158.1
[M+H-H2O]+ 259.08100 159.5
[M+HCOO]- 321.08194 182.1
[M+CH3COO]- 335.09759 204.9
[M+Na-2H]- 297.05841 164.0
[M]+ 276.08319 180.8
[M]- 276.08429 180.8
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.