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

344
Patents

151.11095 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.11823 130.7
[M+Na]+ 174.10017 136.9
[M-H]- 150.10367 133.5
[M+NH4]+ 169.14477 150.6
[M+K]+ 190.07411 134.4
[M+H-H2O]+ 134.10821 124.3
[M+HCOO]- 196.10915 157.4
[M+CH3COO]- 210.12480 183.0
[M+Na-2H]- 172.08562 137.5
[M]+ 151.11040 126.3
[M]- 151.11150 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