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]+ 193.11356 144.4
[M+Na]+ 215.09550 153.4
[M-H]- 191.09900 146.4
[M+NH4]+ 210.14010 161.8
[M+K]+ 231.06944 150.2
[M+H-H2O]+ 175.10354 131.4
[M+HCOO]- 237.10448 163.1
[M+CH3COO]- 251.12013 199.3
[M+Na-2H]- 213.08095 150.3
[M]+ 192.10573 137.9
[M]- 192.10683 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.