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: 70
Patents: 235.1797 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	236.186976	147.5
[M+Na]+	258.168918	147.4
[M-H]-	234.172424	143.2
[M+NH4]+	253.213523	170.9
[M+K]+	274.142858	146.2
[M+H-H2O]+	218.176960	141.5
[M+HCOO]-	280.177901	159.3
[M+CH3COO]-	294.193551	155.3
[M+Na-2H]-	256.154366	157.8
[M]+	235.17915142	142.1
[M]-	235.18024858	142.1

Literature stripe

literature stripe

Patent stripe

patents stripe