CID 9578733

1-(2-chlorobenzylidenamino)-3,3-dimethylguanidine hydrochloride

Structural Information

Molecular Formula
C10H13ClN4
SMILES
CN(C)/C(=N\N=C\C1=CC=CC=C1Cl)/N
InChI
InChI=1S/C10H13ClN4/c1-15(2)10(12)14-13-7-8-5-3-4-6-9(8)11/h3-7H,1-2H3,(H2,12,14)/b13-7+
InChIKey
XTLKRDIHAMKJMX-NTUHNPAUSA-N
Compound name
2-[(E)-(2-chlorophenyl)methylideneamino]-1,1-dimethylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.08287 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.09015 152.0
[M+Na]+ 247.07209 158.8
[M-H]- 223.07559 159.2
[M+NH4]+ 242.11669 171.7
[M+K]+ 263.04603 156.6
[M+H-H2O]+ 207.08013 145.0
[M+HCOO]- 269.08107 177.9
[M+CH3COO]- 283.09672 204.1
[M+Na-2H]- 245.05754 157.2
[M]+ 224.08232 153.5
[M]- 224.08342 153.5
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

No patent data available for this compound.