CID 75128

2182-38-9

Structural Information

Molecular Formula
C10H12N2
SMILES
CC(C)(C#N)NC1=CC=CC=C1
InChI
InChI=1S/C10H12N2/c1-10(2,8-11)12-9-6-4-3-5-7-9/h3-7,12H,1-2H3
InChIKey
NCTOGJVAFQWQOR-UHFFFAOYSA-N
Compound name
2-anilino-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

128
Patents

160.10005 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.10733 139.9
[M+Na]+ 183.08927 148.5
[M-H]- 159.09277 143.0
[M+NH4]+ 178.13387 158.3
[M+K]+ 199.06321 145.7
[M+H-H2O]+ 143.09731 127.7
[M+HCOO]- 205.09825 159.8
[M+CH3COO]- 219.11390 193.1
[M+Na-2H]- 181.07472 147.3
[M]+ 160.09950 133.8
[M]- 160.10060 133.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe