CID 3033182

Brn 2273837

Structural Information

Molecular Formula
C14H14ClNO
SMILES
C/C(=C(/C)\C(=O)NCC#C)/C1=CC=C(C=C1)Cl
InChI
InChI=1S/C14H14ClNO/c1-4-9-16-14(17)11(3)10(2)12-5-7-13(15)8-6-12/h1,5-8H,9H2,2-3H3,(H,16,17)/b11-10+
InChIKey
BNDUZVKWQCXJFV-ZHACJKMWSA-N
Compound name
(E)-3-(4-chlorophenyl)-2-methyl-N-prop-2-ynylbut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

247.07639 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.08367 160.1
[M+Na]+ 270.06561 169.2
[M-H]- 246.06911 161.9
[M+NH4]+ 265.11021 176.0
[M+K]+ 286.03955 162.7
[M+H-H2O]+ 230.07365 148.9
[M+HCOO]- 292.07459 172.1
[M+CH3COO]- 306.09024 202.6
[M+Na-2H]- 268.05106 160.2
[M]+ 247.07584 155.3
[M]- 247.07694 155.3
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

No patent data available for this compound.