CID 21937357

3-ethylbenzene-1,2-diamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

208
Patents

136.10005 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.107326 127.8
[M+Na]+ 159.089268 135.9
[M-H]- 135.092774 131.1
[M+NH4]+ 154.133873 149.1
[M+K]+ 175.063208 133.4
[M+H-H2O]+ 119.097310 122.2
[M+HCOO]- 181.098251 153.5
[M+CH3COO]- 195.113901 179.0
[M+Na-2H]- 157.074716 133.6
[M]+ 136.09950142 124.6
[M]- 136.10059858 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

No literature data available for this compound.

Patent stripe

patents stripe