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

97
Patents

148.10005 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.10733 131.5
[M+Na]+ 171.08927 138.2
[M-H]- 147.09277 134.9
[M+NH4]+ 166.13387 152.1
[M+K]+ 187.06321 135.7
[M+H-H2O]+ 131.09731 125.6
[M+HCOO]- 193.09825 156.7
[M+CH3COO]- 207.11390 181.5
[M+Na-2H]- 169.07472 137.2
[M]+ 148.09950 127.9
[M]- 148.10060 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