CID 9887868

Iem 1754 dihydrobromide

Structural Information

Molecular Formula
C16H30N2
SMILES
C1C2CC3CC1CC(C2)(C3)CNCCCCCN
InChI
InChI=1S/C16H30N2/c17-4-2-1-3-5-18-12-16-9-13-6-14(10-16)8-15(7-13)11-16/h13-15,18H,1-12,17H2
InChIKey
UWWMQHVWAYFCDT-UHFFFAOYSA-N
Compound name
N'-(1-adamantylmethyl)pentane-1,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

9
Patents

250.2409 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.24818 161.7
[M+Na]+ 273.23012 160.9
[M-H]- 249.23362 155.3
[M+NH4]+ 268.27472 184.8
[M+K]+ 289.20406 156.8
[M+H-H2O]+ 233.23816 154.9
[M+HCOO]- 295.23910 169.0
[M+CH3COO]- 309.25475 168.3
[M+Na-2H]- 271.21557 171.0
[M]+ 250.24035 160.1
[M]- 250.24145 160.1
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