CID 12373213

4-ethylbenzene-1,2-diamine

Structural Information

Molecular Formula
C8H12N2
SMILES
CCC1=CC(=C(C=C1)N)N
InChI
InChI=1S/C8H12N2/c1-2-6-3-4-7(9)8(10)5-6/h3-5H,2,9-10H2,1H3
InChIKey
ROJMDQBRKBPHIU-UHFFFAOYSA-N
Compound name
4-ethylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

146
Patents

136.10005 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.10733 127.8
[M+Na]+ 159.08927 135.9
[M-H]- 135.09277 131.1
[M+NH4]+ 154.13387 149.1
[M+K]+ 175.06321 133.4
[M+H-H2O]+ 119.09731 122.2
[M+HCOO]- 181.09825 153.5
[M+CH3COO]- 195.11390 179.0
[M+Na-2H]- 157.07472 133.6
[M]+ 136.09950 124.6
[M]- 136.10060 124.6
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