CID 28702611

1018265-80-9

Structural Information

Molecular Formula
C11H13ClN2
SMILES
CC(C)(C#N)NCC1=CC=C(C=C1)Cl
InChI
InChI=1S/C11H13ClN2/c1-11(2,8-13)14-7-9-3-5-10(12)6-4-9/h3-6,14H,7H2,1-2H3
InChIKey
LBKAOIHQAJTUFS-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)methylamino]-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.07672 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08400 146.9
[M+Na]+ 231.06594 159.0
[M+NH4]+ 226.11054 152.3
[M+K]+ 247.03988 148.9
[M-H]- 207.06944 142.2
[M+Na-2H]- 229.05139 151.5
[M]+ 208.07617 146.8
[M]- 208.07727 146.8
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

No patent data available for this compound.