CID 421679

68569-67-5

Structural Information

Molecular Formula
C9H14N4
SMILES
CC1=C(C(=CC=C1)C)N=C(N)NN
InChI
InChI=1S/C9H14N4/c1-6-4-3-5-7(2)8(6)12-9(10)13-11/h3-5H,11H2,1-2H3,(H3,10,12,13)
InChIKey
UYMFDUGVQORMFR-UHFFFAOYSA-N
Compound name
1-amino-2-(2,6-dimethylphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

178.12184 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.129116 139.5
[M+Na]+ 201.111058 146.0
[M-H]- 177.114564 144.1
[M+NH4]+ 196.155663 158.9
[M+K]+ 217.084998 144.2
[M+H-H2O]+ 161.119100 132.5
[M+HCOO]- 223.120041 167.5
[M+CH3COO]- 237.135691 193.6
[M+Na-2H]- 199.096506 144.4
[M]+ 178.12129142 135.5
[M]- 178.12238858 135.5
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