CID 421679

1-amino-3-(2,6-dimethylphenyl)guanidine hydroiodide

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

3
Patents

178.12184 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.12912 139.5
[M+Na]+ 201.11106 146.0
[M-H]- 177.11456 144.1
[M+NH4]+ 196.15566 158.9
[M+K]+ 217.08500 144.2
[M+H-H2O]+ 161.11910 132.5
[M+HCOO]- 223.12004 167.5
[M+CH3COO]- 237.13569 193.6
[M+Na-2H]- 199.09651 144.4
[M]+ 178.12129 135.5
[M]- 178.12239 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