CID 3314089

1-(1-adamantyl)guanidine

Structural Information

Molecular Formula
C11H19N3
SMILES
C1C2CC3CC1CC(C2)(C3)N=C(N)N
InChI
InChI=1S/C11H19N3/c12-10(13)14-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H4,12,13,14)
InChIKey
LFYYWNBMKVGMPJ-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

73
Patents

193.1579 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.16518 141.4
[M+Na]+ 216.14712 142.6
[M-H]- 192.15062 136.8
[M+NH4]+ 211.19172 166.9
[M+K]+ 232.12106 140.3
[M+H-H2O]+ 176.15516 135.6
[M+HCOO]- 238.15610 151.5
[M+CH3COO]- 252.17175 150.1
[M+Na-2H]- 214.13257 152.3
[M]+ 193.15735 137.2
[M]- 193.15845 137.2
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

patents stripe