CID 28702609

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

Structural Information

Molecular Formula
C11H13FN2
SMILES
CC(C)(C#N)NCC1=CC=C(C=C1)F
InChI
InChI=1S/C11H13FN2/c1-11(2,8-13)14-7-9-3-5-10(12)6-4-9/h3-6,14H,7H2,1-2H3
InChIKey
USASFFCNYLQASN-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)methylamino]-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.10628 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.113556 144.4
[M+Na]+ 215.095498 153.4
[M-H]- 191.099004 146.4
[M+NH4]+ 210.140103 161.8
[M+K]+ 231.069438 150.2
[M+H-H2O]+ 175.103540 131.4
[M+HCOO]- 237.104481 163.1
[M+CH3COO]- 251.120131 199.3
[M+Na-2H]- 213.080946 150.3
[M]+ 192.10573142 137.9
[M]- 192.10682858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.