CID 66746518

2-amino-6-(2-amino-2-methylpropoxy)benzonitrile

Structural Information

Molecular Formula
C11H15N3O
SMILES
CC(C)(COC1=CC=CC(=C1C#N)N)N
InChI
InChI=1S/C11H15N3O/c1-11(2,14)7-15-10-5-3-4-9(13)8(10)6-12/h3-5H,7,13-14H2,1-2H3
InChIKey
ZVPOZVPTQRTWKD-UHFFFAOYSA-N
Compound name
2-amino-6-(2-amino-2-methylpropoxy)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

205.1215 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.12878 149.6
[M+Na]+ 228.11072 159.1
[M+NH4]+ 223.15532 153.4
[M+K]+ 244.08466 151.1
[M-H]- 204.11422 144.3
[M+Na-2H]- 226.09617 152.2
[M]+ 205.12095 148.5
[M]- 205.12205 148.5
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