CID 91664398

1229025-68-6

Structural Information

Molecular Formula
C13H18N2O4
SMILES
C[C@@H](CNC(=O)OCC1=CC=CC=C1)NC(=O)OC
InChI
InChI=1S/C13H18N2O4/c1-10(15-13(17)18-2)8-14-12(16)19-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,14,16)(H,15,17)/t10-/m0/s1
InChIKey
FIKPNNGOJITHLO-JTQLQIEISA-N
Compound name
benzyl N-[(2S)-2-(methoxycarbonylamino)propyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

266.12665 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.133926 161.9
[M+Na]+ 289.115868 165.5
[M-H]- 265.119374 164.8
[M+NH4]+ 284.160473 177.3
[M+K]+ 305.089808 165.2
[M+H-H2O]+ 249.123910 154.2
[M+HCOO]- 311.124851 185.5
[M+CH3COO]- 325.140501 199.8
[M+Na-2H]- 287.101316 164.8
[M]+ 266.12610142 163.7
[M]- 266.12719858 163.7
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