CID 15956145

3-(adamantan-1-yl)-1-ethylguanidine

Structural Information

Molecular Formula
C13H23N3
SMILES
CCN=C(N)NC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C13H23N3/c1-2-15-12(14)16-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,2-8H2,1H3,(H3,14,15,16)
InChIKey
VGBFQSVFIIHEDN-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)-2-ethylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

221.1892 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.19648 149.4
[M+Na]+ 244.17842 149.7
[M-H]- 220.18192 144.9
[M+NH4]+ 239.22302 174.1
[M+K]+ 260.15236 147.3
[M+H-H2O]+ 204.18646 143.2
[M+HCOO]- 266.18740 159.5
[M+CH3COO]- 280.20305 157.5
[M+Na-2H]- 242.16387 160.3
[M]+ 221.18865 146.6
[M]- 221.18975 146.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.