CID 49610

(2-(2,6-xylidino)ethyl)guanidine

Structural Information

Molecular Formula
C11H18N4
SMILES
CC1=C(C(=CC=C1)C)NCCN=C(N)N
InChI
InChI=1S/C11H18N4/c1-8-4-3-5-9(2)10(8)14-6-7-15-11(12)13/h3-5,14H,6-7H2,1-2H3,(H4,12,13,15)
InChIKey
PKWWGXNWDTWCQK-UHFFFAOYSA-N
Compound name
2-[2-(2,6-dimethylanilino)ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.15315 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.160426 148.1
[M+Na]+ 229.142368 153.7
[M-H]- 205.145874 152.3
[M+NH4]+ 224.186973 166.4
[M+K]+ 245.116308 151.4
[M+H-H2O]+ 189.150410 140.7
[M+HCOO]- 251.151351 175.4
[M+CH3COO]- 265.167001 200.4
[M+Na-2H]- 227.127816 152.0
[M]+ 206.15260142 144.9
[M]- 206.15369858 144.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.