CID 10021572

3-bromo-1,1,2,2-tetramethylcyclopropane

Structural Information

Molecular Formula
C7H13Br
SMILES
CC1(C(C1(C)C)Br)C
InChI
InChI=1S/C7H13Br/c1-6(2)5(8)7(6,3)4/h5H,1-4H3
InChIKey
MVAYPRUMDAKCHH-UHFFFAOYSA-N
Compound name
3-bromo-1,1,2,2-tetramethylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

176.02007 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.027346 127.7
[M+Na]+ 199.009288 142.9
[M-H]- 175.012794 136.3
[M+NH4]+ 194.053893 151.2
[M+K]+ 214.983228 133.8
[M+H-H2O]+ 159.017330 130.7
[M+HCOO]- 221.018271 148.6
[M+CH3COO]- 235.033921 184.4
[M+Na-2H]- 196.994736 137.1
[M]+ 176.01952142 149.8
[M]- 176.02061858 149.8
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