CID 5365942

1-chloro-3-methyl-1-butene

Structural Information

Molecular Formula
C5H9Cl
SMILES
CC(C)/C=C/Cl
InChI
InChI=1S/C5H9Cl/c1-5(2)3-4-6/h3-5H,1-2H3/b4-3+
InChIKey
MXVSJNLRVLKAOG-ONEGZZNKSA-N
Compound name
(E)-1-chloro-3-methylbut-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

104.039276 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.04655 118.3
[M+Na]+ 127.02849 126.8
[M-H]- 103.03200 118.8
[M+NH4]+ 122.07310 142.5
[M+K]+ 143.00243 124.7
[M+H-H2O]+ 87.036536 115.5
[M+HCOO]- 149.03748 137.1
[M+CH3COO]- 163.05313 167.5
[M+Na-2H]- 125.01394 124.4
[M]+ 104.03873 119.5
[M]- 104.03982 119.5
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