CID 2757381

4-n-cbz-aminomethylaniline

Structural Information

Molecular Formula
C15H16N2O2
SMILES
C1=CC=C(C=C1)COC(=O)NCC2=CC=C(C=C2)N
InChI
InChI=1S/C15H16N2O2/c16-14-8-6-12(7-9-14)10-17-15(18)19-11-13-4-2-1-3-5-13/h1-9H,10-11,16H2,(H,17,18)
InChIKey
YILCBSAIBMIFQA-UHFFFAOYSA-N
Compound name
benzyl N-[(4-aminophenyl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

256.1212 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.12848 158.4
[M+Na]+ 279.11042 163.8
[M-H]- 255.11392 164.4
[M+NH4]+ 274.15502 174.0
[M+K]+ 295.08436 160.2
[M+H-H2O]+ 239.11846 150.1
[M+HCOO]- 301.11940 183.5
[M+CH3COO]- 315.13505 198.3
[M+Na-2H]- 277.09587 163.7
[M]+ 256.12065 157.1
[M]- 256.12175 157.1
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