CID 28702611

2-{[(4-chlorophenyl)methyl]amino}-2-methylpropanenitrile

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]+ 209.083996 150.5
[M+Na]+ 231.065938 160.5
[M-H]- 207.069444 153.7
[M+NH4]+ 226.110543 168.3
[M+K]+ 247.039878 155.5
[M+H-H2O]+ 191.073980 139.1
[M+HCOO]- 253.074921 166.1
[M+CH3COO]- 267.090571 200.2
[M+Na-2H]- 229.051386 156.3
[M]+ 208.07617142 146.9
[M]- 208.07726858 146.9
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.