CID 42974

2-bromo-n-methyl-1-adamantanemethanamine hydrochloride

Structural Information

Molecular Formula
C12H20BrN
SMILES
CNCC12CC3CC(C1)CC(C3)C2Br
InChI
InChI=1S/C12H20BrN/c1-14-7-12-5-8-2-9(6-12)4-10(3-8)11(12)13/h8-11,14H,2-7H2,1H3
InChIKey
SYCGUXQTHQVZSU-UHFFFAOYSA-N
Compound name
1-(2-bromo-1-adamantyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

257.0779 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.08518 156.5
[M+Na]+ 280.06712 161.8
[M-H]- 256.07062 154.8
[M+NH4]+ 275.11172 183.1
[M+K]+ 296.04106 151.2
[M+H-H2O]+ 240.07516 156.3
[M+HCOO]- 302.07610 163.1
[M+CH3COO]- 316.09175 166.7
[M+Na-2H]- 278.05257 167.4
[M]+ 257.07735 173.0
[M]- 257.07845 173.0
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