CID 11194640

1-butene, 2-(bromomethyl)-3,3-dimethyl-

Structural Information

Molecular Formula
C7H13Br
SMILES
CC(C)(C)C(=C)CBr
InChI
InChI=1S/C7H13Br/c1-6(5-8)7(2,3)4/h1,5H2,2-4H3
InChIKey
GFKPUBMTEHCQIW-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-3,3-dimethylbut-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

176.02007 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.02735 133.6
[M+Na]+ 199.00929 144.6
[M-H]- 175.01279 137.0
[M+NH4]+ 194.05389 157.6
[M+K]+ 214.98323 134.5
[M+H-H2O]+ 159.01733 135.2
[M+HCOO]- 221.01827 152.4
[M+CH3COO]- 235.03392 180.6
[M+Na-2H]- 196.99474 140.6
[M]+ 176.01952 151.7
[M]- 176.02062 151.7
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