CID 61269200

5-amino-2-(propan-2-yloxy)benzonitrile

Structural Information

Molecular Formula
C10H12N2O
SMILES
CC(C)OC1=C(C=C(C=C1)N)C#N
InChI
InChI=1S/C10H12N2O/c1-7(2)13-10-4-3-9(12)5-8(10)6-11/h3-5,7H,12H2,1-2H3
InChIKey
XJSKJJZBZSWZGV-UHFFFAOYSA-N
Compound name
5-amino-2-propan-2-yloxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

176.09496 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10224 140.3
[M+Na]+ 199.08418 149.9
[M-H]- 175.08768 143.5
[M+NH4]+ 194.12878 158.3
[M+K]+ 215.05812 147.6
[M+H-H2O]+ 159.09222 128.1
[M+HCOO]- 221.09316 160.5
[M+CH3COO]- 235.10881 196.8
[M+Na-2H]- 197.06963 144.1
[M]+ 176.09441 135.2
[M]- 176.09551 135.2
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