CID 15040262

4-ethenylbenzene-1,3-diamine

Structural Information

Molecular Formula
C8H10N2
SMILES
C=CC1=C(C=C(C=C1)N)N
InChI
InChI=1S/C8H10N2/c1-2-6-3-4-7(9)5-8(6)10/h2-5H,1,9-10H2
InChIKey
FXKUKPDMOLUQLE-UHFFFAOYSA-N
Compound name
4-ethenylbenzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

134.0844 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.091676 126.5
[M+Na]+ 157.073618 134.9
[M-H]- 133.077124 129.9
[M+NH4]+ 152.118223 147.8
[M+K]+ 173.047558 131.9
[M+H-H2O]+ 117.081660 121.1
[M+HCOO]- 179.082601 152.4
[M+CH3COO]- 193.098251 178.1
[M+Na-2H]- 155.059066 132.3
[M]+ 134.08385142 122.6
[M]- 134.08494858 122.6
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