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

13
Patents

148.10005 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.10733 131.3
[M+Na]+ 171.08927 139.0
[M-H]- 147.09277 135.1
[M+NH4]+ 166.13387 152.2
[M+K]+ 187.06321 136.5
[M+H-H2O]+ 131.09731 125.7
[M+HCOO]- 193.09825 156.5
[M+CH3COO]- 207.11390 182.6
[M+Na-2H]- 169.07472 136.3
[M]+ 148.09950 128.1
[M]- 148.10060 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