CID 238097

Guanidine, pentaethyl-

Structural Information

Molecular Formula

C₁₁H₂₅N₃

SMILES

CCN=C(N(CC)CC)N(CC)CC

InChI

InChI=1S/C11H25N3/c1-6-12-11(13(7-2)8-3)14(9-4)10-5/h6-10H2,1-5H3

InChIKey

NRGWEQLAXOTOPB-UHFFFAOYSA-N

Compound name

1,1,2,3,3-pentaethylguanidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 89
Patents: 199.20485 Da
Monoisotopic Mass: 1.7
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]+	200.21213	154.1
[M+Na]+	222.19407	157.8
[M-H]-	198.19757	158.0
[M+NH4]+	217.23867	174.8
[M+K]+	238.16801	159.8
[M+H-H2O]+	182.20211	147.0
[M+HCOO]-	244.20305	181.0
[M+CH3COO]-	258.21870	204.6
[M+Na-2H]-	220.17952	156.7
[M]+	199.20430	157.7
[M]-	199.20540	157.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe