CID 137914

1-bromo-3,7-dimethyloctane

Structural Information

Molecular Formula
C10H21Br
SMILES
CC(C)CCCC(C)CCBr
InChI
InChI=1S/C10H21Br/c1-9(2)5-4-6-10(3)7-8-11/h9-10H,4-8H2,1-3H3
InChIKey
VGSUDZKDSKCYJP-UHFFFAOYSA-N
Compound name
1-bromo-3,7-dimethyloctane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

359
Patents

220.08266 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08994 149.9
[M+Na]+ 243.07188 158.7
[M-H]- 219.07538 152.4
[M+NH4]+ 238.11648 172.1
[M+K]+ 259.04582 148.4
[M+H-H2O]+ 203.07992 150.2
[M+HCOO]- 265.08086 168.0
[M+CH3COO]- 279.09651 191.2
[M+Na-2H]- 241.05733 153.4
[M]+ 220.08211 169.6
[M]- 220.08321 169.6
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