CID 4350234

N-(adamantan-1-yl)-1-carbamimidamidomethanimidamide hydrochloride

Structural Information

Molecular Formula
C12H21N5
SMILES
C1C2CC3CC1CC(C2)(C3)N=C(N)N=C(N)N
InChI
InChI=1S/C12H21N5/c13-10(14)16-11(15)17-12-4-7-1-8(5-12)3-9(2-7)6-12/h7-9H,1-6H2,(H6,13,14,15,16,17)
InChIKey
DZFJHDNHQUMWMX-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)-1-(diaminomethylidene)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

66
Patents

235.1797 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.18698 147.5
[M+Na]+ 258.16892 147.4
[M-H]- 234.17242 143.2
[M+NH4]+ 253.21352 170.9
[M+K]+ 274.14286 146.2
[M+H-H2O]+ 218.17696 141.5
[M+HCOO]- 280.17790 159.3
[M+CH3COO]- 294.19355 155.3
[M+Na-2H]- 256.15437 157.8
[M]+ 235.17915 142.1
[M]- 235.18025 142.1
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