CID 10057801

2-(4-aminophenyl)-2-methylpropanenitrile

Structural Information

Molecular Formula
C10H12N2
SMILES
CC(C)(C#N)C1=CC=C(C=C1)N
InChI
InChI=1S/C10H12N2/c1-10(2,7-11)8-3-5-9(12)6-4-8/h3-6H,12H2,1-2H3
InChIKey
VXDPOGVDHHJTDY-UHFFFAOYSA-N
Compound name
2-(4-aminophenyl)-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

557
Patents

160.10005 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.10733 138.4
[M+Na]+ 183.08927 149.8
[M+NH4]+ 178.13387 143.6
[M+K]+ 199.06321 140.7
[M-H]- 159.09277 133.6
[M+Na-2H]- 181.07472 142.7
[M]+ 160.09950 137.9
[M]- 160.10060 137.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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