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

53
Patents

205.1215 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.128776 151.8
[M+Na]+ 228.110718 160.5
[M-H]- 204.114224 154.3
[M+NH4]+ 223.155323 168.1
[M+K]+ 244.084658 158.0
[M+H-H2O]+ 188.118760 139.3
[M+HCOO]- 250.119701 171.2
[M+CH3COO]- 264.135351 203.1
[M+Na-2H]- 226.096166 155.6
[M]+ 205.12095142 145.3
[M]- 205.12204858 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