CID 3776987

3,6-dimethylbenzene-1,2-diamine

Structural Information

Molecular Formula
C8H12N2
SMILES
CC1=C(C(=C(C=C1)C)N)N
InChI
InChI=1S/C8H12N2/c1-5-3-4-6(2)8(10)7(5)9/h3-4H,9-10H2,1-2H3
InChIKey
RZBWGEXTRWUGBV-UHFFFAOYSA-N
Compound name
3,6-dimethylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1588
Patents

136.10005 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.10733 127.8
[M+Na]+ 159.08927 136.8
[M-H]- 135.09277 131.5
[M+NH4]+ 154.13387 149.4
[M+K]+ 175.06321 134.4
[M+H-H2O]+ 119.09731 122.5
[M+HCOO]- 181.09825 153.4
[M+CH3COO]- 195.11390 180.1
[M+Na-2H]- 157.07472 132.8
[M]+ 136.09950 125.0
[M]- 136.10060 125.0
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