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]+ 209.08400 150.5
[M+Na]+ 231.06594 160.5
[M-H]- 207.06944 153.7
[M+NH4]+ 226.11054 168.3
[M+K]+ 247.03988 155.5
[M+H-H2O]+ 191.07398 139.1
[M+HCOO]- 253.07492 166.1
[M+CH3COO]- 267.09057 200.2
[M+Na-2H]- 229.05139 156.3
[M]+ 208.07617 146.9
[M]- 208.07727 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.