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]+ 251.248176 161.7
[M+Na]+ 273.230118 160.9
[M-H]- 249.233624 155.3
[M+NH4]+ 268.274723 184.8
[M+K]+ 289.204058 156.8
[M+H-H2O]+ 233.238160 154.9
[M+HCOO]- 295.239101 169.0
[M+CH3COO]- 309.254751 168.3
[M+Na-2H]- 271.215566 171.0
[M]+ 250.24035142 160.1
[M]- 250.24144858 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