CID 109895247

N''-[(adamantan-2-yl)methyl]-n,n-diethylguanidine; trifluoroacetic acid

Structural Information

Molecular Formula
C16H29N3
SMILES
CCN(CC)C(=NCC1C2CC3CC(C2)CC1C3)N
InChI
InChI=1S/C16H29N3/c1-3-19(4-2)16(17)18-10-15-13-6-11-5-12(8-13)9-14(15)7-11/h11-15H,3-10H2,1-2H3,(H2,17,18)
InChIKey
TZDVNPKTPPAEPK-UHFFFAOYSA-N
Compound name
2-(2-adamantylmethyl)-1,1-diethylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.23615 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.24343 164.6
[M+Na]+ 286.22537 163.1
[M-H]- 262.22887 160.8
[M+NH4]+ 281.26997 186.4
[M+K]+ 302.19931 161.5
[M+H-H2O]+ 246.23341 157.9
[M+HCOO]- 308.23435 173.9
[M+CH3COO]- 322.25000 171.6
[M+Na-2H]- 284.21082 171.4
[M]+ 263.23560 163.7
[M]- 263.23670 163.7
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.