CID 155972994

Tert-butyl n-[3-(3-amino-4-fluorophenyl)propyl]carbamate

Structural Information

Molecular Formula
C14H21FN2O2
SMILES
CC(C)(C)OC(=O)NCCCC1=CC(=C(C=C1)F)N
InChI
InChI=1S/C14H21FN2O2/c1-14(2,3)19-13(18)17-8-4-5-10-6-7-11(15)12(16)9-10/h6-7,9H,4-5,8,16H2,1-3H3,(H,17,18)
InChIKey
JVLMXLSSFFVOQT-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(3-amino-4-fluorophenyl)propyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1587 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.16598 163.7
[M+Na]+ 291.14792 169.8
[M-H]- 267.15142 165.5
[M+NH4]+ 286.19252 179.9
[M+K]+ 307.12186 167.3
[M+H-H2O]+ 251.15596 156.3
[M+HCOO]- 313.15690 185.1
[M+CH3COO]- 327.17255 203.1
[M+Na-2H]- 289.13337 166.3
[M]+ 268.15815 163.3
[M]- 268.15925 163.3
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.