CID 6446069

58953-14-3

Structural Information

Molecular Formula
C6H9ClO
SMILES
CC(C)C(=O)/C=C/Cl
InChI
InChI=1S/C6H9ClO/c1-5(2)6(8)3-4-7/h3-5H,1-2H3/b4-3+
InChIKey
YCDOHSUMKPOXSR-ONEGZZNKSA-N
Compound name
(E)-1-chloro-4-methylpent-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

132.0342 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.04148 124.4
[M+Na]+ 155.02342 132.7
[M-H]- 131.02692 124.9
[M+NH4]+ 150.06802 147.3
[M+K]+ 170.99736 130.4
[M+H-H2O]+ 115.03146 121.4
[M+HCOO]- 177.03240 142.4
[M+CH3COO]- 191.04805 172.3
[M+Na-2H]- 153.00887 128.8
[M]+ 132.03365 126.2
[M]- 132.03475 126.2
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

patents stripe