CID 79106

1-bromoadamantane

Structural Information

Molecular Formula
C10H15Br
SMILES
C1C2CC3CC1CC(C2)(C3)Br
InChI
InChI=1S/C10H15Br/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2
InChIKey
VQHPRVYDKRESCL-UHFFFAOYSA-N
Compound name
1-bromoadamantane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

1367
Patents

214.0357 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.04298 145.5
[M+Na]+ 237.02492 151.8
[M-H]- 213.02842 144.4
[M+NH4]+ 232.06952 174.0
[M+K]+ 252.99886 141.8
[M+H-H2O]+ 197.03296 146.1
[M+HCOO]- 259.03390 152.3
[M+CH3COO]- 273.04955 156.9
[M+Na-2H]- 235.01037 157.6
[M]+ 214.03515 161.9
[M]- 214.03625 161.9
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