CID 16795070

357443-58-4

Structural Information

Molecular Formula
C15H24N2O2
SMILES
CC(C)(C)OC(=O)NCCCC(C1=CC=CC=C1)N
InChI
InChI=1S/C15H24N2O2/c1-15(2,3)19-14(18)17-11-7-10-13(16)12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11,16H2,1-3H3,(H,17,18)
InChIKey
IHZJZEXHKLIMKX-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-amino-4-phenylbutyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

264.18378 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.19106 166.2
[M+Na]+ 287.17300 169.6
[M-H]- 263.17650 168.5
[M+NH4]+ 282.21760 181.9
[M+K]+ 303.14694 167.8
[M+H-H2O]+ 247.18104 159.1
[M+HCOO]- 309.18198 187.3
[M+CH3COO]- 323.19763 201.9
[M+Na-2H]- 285.15845 168.9
[M]+ 264.18323 165.8
[M]- 264.18433 165.8
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

patents stripe