CID 10012053

1055943-40-2

Structural Information

Molecular Formula
C6H10ClNO
SMILES
CN(C)C/C=C/C(=O)Cl
InChI
InChI=1S/C6H10ClNO/c1-8(2)5-3-4-6(7)9/h3-4H,5H2,1-2H3/b4-3+
InChIKey
BOTUQNGRMXZOTH-ONEGZZNKSA-N
Compound name
(E)-4-(dimethylamino)but-2-enoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

453
Patents

147.04509 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.052366 129.3
[M+Na]+ 170.034308 137.1
[M-H]- 146.037814 131.1
[M+NH4]+ 165.078913 152.0
[M+K]+ 186.008248 135.7
[M+H-H2O]+ 130.042350 125.4
[M+HCOO]- 192.043291 149.8
[M+CH3COO]- 206.058941 179.7
[M+Na-2H]- 168.019756 134.2
[M]+ 147.04454142 132.2
[M]- 147.04563858 132.2
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