CID 131632935

91650-02-1

Structural Information

Molecular Formula
C16H20N2O4
SMILES
C[C@H](C(=O)N1CCC[C@H]1C=O)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C16H20N2O4/c1-12(15(20)18-9-5-8-14(18)10-19)17-16(21)22-11-13-6-3-2-4-7-13/h2-4,6-7,10,12,14H,5,8-9,11H2,1H3,(H,17,21)/t12-,14+/m1/s1
InChIKey
SQXBJJUQJZTQQJ-OCCSQVGLSA-N
Compound name
benzyl N-[(2R)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.1423 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.149576 171.7
[M+Na]+ 327.131518 175.0
[M-H]- 303.135024 176.2
[M+NH4]+ 322.176123 185.9
[M+K]+ 343.105458 173.2
[M+H-H2O]+ 287.139560 163.2
[M+HCOO]- 349.140501 191.4
[M+CH3COO]- 363.156151 203.7
[M+Na-2H]- 325.116966 170.6
[M]+ 304.14175142 171.0
[M]- 304.14284858 171.0
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.