CID 43517994

3-amino-4-(cyclopropylamino)benzonitrile

Structural Information

Molecular Formula
C10H11N3
SMILES
C1CC1NC2=C(C=C(C=C2)C#N)N
InChI
InChI=1S/C10H11N3/c11-6-7-1-4-10(9(12)5-7)13-8-2-3-8/h1,4-5,8,13H,2-3,12H2
InChIKey
DZNLWLXUPNNEPH-UHFFFAOYSA-N
Compound name
3-amino-4-(cyclopropylamino)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

173.09529 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.10257 140.9
[M+Na]+ 196.08451 153.0
[M+NH4]+ 191.12911 146.8
[M+K]+ 212.05845 145.2
[M-H]- 172.08801 144.4
[M+Na-2H]- 194.06996 148.0
[M]+ 173.09474 143.7
[M]- 173.09584 143.7
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