CID 29493

19201-32-2

Structural Information

Molecular Formula
C8H13N3
SMILES
C1=CC(=CC=C1N)NCCN
InChI
InChI=1S/C8H13N3/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4,11H,5-6,9-10H2
InChIKey
TVARKMCEMIFLIP-UHFFFAOYSA-N
Compound name
4-N-(2-aminoethyl)benzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

721
Patents

151.11095 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.118226 130.7
[M+Na]+ 174.100168 136.9
[M-H]- 150.103674 133.5
[M+NH4]+ 169.144773 150.6
[M+K]+ 190.074108 134.4
[M+H-H2O]+ 134.108210 124.3
[M+HCOO]- 196.109151 157.4
[M+CH3COO]- 210.124801 183.0
[M+Na-2H]- 172.085616 137.5
[M]+ 151.11040142 126.3
[M]- 151.11149858 126.3
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