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 151.8
[M+Na]+ 228.11072 160.5
[M-H]- 204.11422 154.3
[M+NH4]+ 223.15532 168.1
[M+K]+ 244.08466 158.0
[M+H-H2O]+ 188.11876 139.3
[M+HCOO]- 250.11970 171.2
[M+CH3COO]- 264.13535 203.1
[M+Na-2H]- 226.09617 155.6
[M]+ 205.12095 145.3
[M]- 205.12205 145.3
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