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

21
Patents

266.12665 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13393 161.9
[M+Na]+ 289.11587 165.5
[M-H]- 265.11937 164.8
[M+NH4]+ 284.16047 177.3
[M+K]+ 305.08981 165.2
[M+H-H2O]+ 249.12391 154.2
[M+HCOO]- 311.12485 185.5
[M+CH3COO]- 325.14050 199.8
[M+Na-2H]- 287.10132 164.8
[M]+ 266.12610 163.7
[M]- 266.12720 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