CID 15956144

Schembl8397286

Structural Information

Molecular Formula

C₁₂H₂₁N₃

SMILES

CN=C(N)NC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C12H21N3/c1-14-11(13)15-12-5-8-2-9(6-12)4-10(3-8)7-12/h8-10H,2-7H2,1H3,(H3,13,14,15)

InChIKey

CKQNAKIUSITMKJ-UHFFFAOYSA-N

Compound name

1-(1-adamantyl)-2-methylguanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 207.17355 Da
Monoisotopic Mass: 1.8
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]+	208.18083	144.9
[M+Na]+	230.16277	145.7
[M-H]-	206.16627	140.7
[M+NH4]+	225.20737	170.2
[M+K]+	246.13671	143.5
[M+H-H2O]+	190.17081	138.9
[M+HCOO]-	252.17175	155.4
[M+CH3COO]-	266.18740	153.5
[M+Na-2H]-	228.14822	156.4
[M]+	207.17300	141.9
[M]-	207.17410	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe