CID 20896

Biguanide, 1-pentyl-, monohydrochloride

Structural Information

Molecular Formula

C₇H₁₇N₅

SMILES

CCCCCN=C(N)N=C(N)N

InChI

InChI=1S/C7H17N5/c1-2-3-4-5-11-7(10)12-6(8)9/h2-5H2,1H3,(H6,8,9,10,11,12)

InChIKey

ISBMMSTZNSUXJZ-UHFFFAOYSA-N

Compound name

1-(diaminomethylidene)-2-pentylguanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 171.14839 Da
Monoisotopic Mass: 0.0
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]+	172.155666	140.4
[M+Na]+	194.137608	144.1
[M-H]-	170.141114	141.8
[M+NH4]+	189.182213	159.6
[M+K]+	210.111548	144.2
[M+H-H2O]+	154.145650	132.9
[M+HCOO]-	216.146591	168.2
[M+CH3COO]-	230.162241	196.5
[M+Na-2H]-	192.123056	143.2
[M]+	171.14784142	135.7
[M]-	171.14893858	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe