CID 5007984

2-(4-methylphenyl)ethanimidamide hydrochloride

Structural Information

Molecular Formula
C9H12N2
SMILES
CC1=CC=C(C=C1)CC(=N)N
InChI
InChI=1S/C9H12N2/c1-7-2-4-8(5-3-7)6-9(10)11/h2-5H,6H2,1H3,(H3,10,11)
InChIKey
KWBSNZRNBKLLPP-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)ethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

148.10005 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.107326 131.5
[M+Na]+ 171.089268 138.2
[M-H]- 147.092774 134.9
[M+NH4]+ 166.133873 152.1
[M+K]+ 187.063208 135.7
[M+H-H2O]+ 131.097310 125.6
[M+HCOO]- 193.098251 156.7
[M+CH3COO]- 207.113901 181.5
[M+Na-2H]- 169.074716 137.2
[M]+ 148.09950142 127.9
[M]- 148.10059858 127.9
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