CID 638973

2-pentene, 1-bromo-4,4-dimethyl-

Structural Information

Molecular Formula
C7H13Br
SMILES
CC(C)(C)/C=C/CBr
InChI
InChI=1S/C7H13Br/c1-7(2,3)5-4-6-8/h4-5H,6H2,1-3H3/b5-4+
InChIKey
INKPIDICTIUUHE-SNAWJCMRSA-N
Compound name
(E)-1-bromo-4,4-dimethylpent-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

176.02007 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.02735 133.6
[M+Na]+ 199.00929 145.0
[M-H]- 175.01279 137.0
[M+NH4]+ 194.05389 157.8
[M+K]+ 214.98323 134.5
[M+H-H2O]+ 159.01733 135.3
[M+HCOO]- 221.01827 153.4
[M+CH3COO]- 235.03392 179.3
[M+Na-2H]- 196.99474 141.8
[M]+ 176.01952 152.3
[M]- 176.02062 152.3
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