CID 28702609

1018539-78-0

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]+ 193.11356 145.9
[M+Na]+ 215.09550 156.7
[M+NH4]+ 210.14010 150.3
[M+K]+ 231.06944 147.0
[M-H]- 191.09900 139.5
[M+Na-2H]- 213.08095 149.6
[M]+ 192.10573 144.8
[M]- 192.10683 144.8
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.