CID 5151957

N1-methylbenzene-1,3-diamine

Structural Information

Molecular Formula
C7H10N2
SMILES
CNC1=CC=CC(=C1)N
InChI
InChI=1S/C7H10N2/c1-9-7-4-2-3-6(8)5-7/h2-5,9H,8H2,1H3
InChIKey
DYNWNNKAUGBOOZ-UHFFFAOYSA-N
Compound name
3-N-methylbenzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

598
Patents

122.0844 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.091676 122.6
[M+Na]+ 145.073618 130.2
[M-H]- 121.077124 126.3
[M+NH4]+ 140.118223 144.4
[M+K]+ 161.047558 128.3
[M+H-H2O]+ 105.081660 117.0
[M+HCOO]- 167.082601 149.3
[M+CH3COO]- 181.098251 175.4
[M+Na-2H]- 143.059066 130.8
[M]+ 122.08385142 119.7
[M]- 122.08494858 119.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe