CID 39455

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

Structural Information

Molecular Formula
C12H20N4
SMILES
CC1=C(C(=CC=C1)C)N(C)CCN=C(N)N
InChI
InChI=1S/C12H20N4/c1-9-5-4-6-10(2)11(9)16(3)8-7-15-12(13)14/h4-6H,7-8H2,1-3H3,(H4,13,14,15)
InChIKey
QKTIVYNFAOATJT-UHFFFAOYSA-N
Compound name
2-[2-(N,2,6-trimethylanilino)ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.1688 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.17608 153.7
[M+Na]+ 243.15802 159.0
[M-H]- 219.16152 159.2
[M+NH4]+ 238.20262 172.0
[M+K]+ 259.13196 157.9
[M+H-H2O]+ 203.16606 145.9
[M+HCOO]- 265.16700 181.2
[M+CH3COO]- 279.18265 206.8
[M+Na-2H]- 241.14347 156.2
[M]+ 220.16825 152.1
[M]- 220.16935 152.1
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

patents stripe