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]+ 207.16043 148.1
[M+Na]+ 229.14237 153.7
[M-H]- 205.14587 152.3
[M+NH4]+ 224.18697 166.4
[M+K]+ 245.11631 151.4
[M+H-H2O]+ 189.15041 140.7
[M+HCOO]- 251.15135 175.4
[M+CH3COO]- 265.16700 200.4
[M+Na-2H]- 227.12782 152.0
[M]+ 206.15260 144.9
[M]- 206.15370 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.