CID 5047790

2,6-dimethylbenzene-1-carboximidamide hydrochloride

Structural Information

Molecular Formula
C9H12N2
SMILES
CC1=C(C(=CC=C1)C)C(=N)N
InChI
InChI=1S/C9H12N2/c1-6-4-3-5-7(2)8(6)9(10)11/h3-5H,1-2H3,(H3,10,11)
InChIKey
RRIKJEBDBLNLOW-UHFFFAOYSA-N
Compound name
2,6-dimethylbenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

148.10005 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.107326 131.3
[M+Na]+ 171.089268 139.0
[M-H]- 147.092774 135.1
[M+NH4]+ 166.133873 152.2
[M+K]+ 187.063208 136.5
[M+H-H2O]+ 131.097310 125.7
[M+HCOO]- 193.098251 156.5
[M+CH3COO]- 207.113901 182.6
[M+Na-2H]- 169.074716 136.3
[M]+ 148.09950142 128.1
[M]- 148.10059858 128.1
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