CID 24689015

1016744-37-8

Structural Information

Molecular Formula
C13H19FN2O2
SMILES
CC(C)(C)OC(=O)NC(CN)C1=CC=C(C=C1)F
InChI
InChI=1S/C13H19FN2O2/c1-13(2,3)18-12(17)16-11(8-15)9-4-6-10(14)7-5-9/h4-7,11H,8,15H2,1-3H3,(H,16,17)
InChIKey
SQWIBRSBKJQGBW-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-amino-1-(4-fluorophenyl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

254.14305 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.15033 159.4
[M+Na]+ 277.13227 164.7
[M-H]- 253.13577 161.1
[M+NH4]+ 272.17687 175.8
[M+K]+ 293.10621 162.9
[M+H-H2O]+ 237.14031 152.0
[M+HCOO]- 299.14125 180.1
[M+CH3COO]- 313.15690 199.8
[M+Na-2H]- 275.11772 161.9
[M]+ 254.14250 157.6
[M]- 254.14360 157.6
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

patents stripe