CID 36014

31898-11-0

Structural Information

Molecular Formula
C14H24BrN
SMILES
CC(CC12CC3CC(C1)CC(C3)(C2)Br)NC
InChI
InChI=1S/C14H24BrN/c1-10(16-2)4-13-5-11-3-12(6-13)8-14(15,7-11)9-13/h10-12,16H,3-9H2,1-2H3
InChIKey
TYGZLRGXVVMQMY-UHFFFAOYSA-N
Compound name
1-(3-bromo-1-adamantyl)-N-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.10922 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.11650 166.4
[M+Na]+ 308.09844 170.8
[M-H]- 284.10194 164.2
[M+NH4]+ 303.14304 193.4
[M+K]+ 324.07238 160.0
[M+H-H2O]+ 268.10648 165.8
[M+HCOO]- 330.10742 171.3
[M+CH3COO]- 344.12307 175.6
[M+Na-2H]- 306.08389 176.3
[M]+ 285.10867 182.9
[M]- 285.10977 182.9
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

No patent data available for this compound.