CID 18939327

Rac-tert-butyl n-[(3r,4s)-4-cyclopropylpyrrolidin-3-yl]carbamate

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)(C)OC(=O)NC1CNCC1C2CC2
InChI
InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-10-7-13-6-9(10)8-4-5-8/h8-10,13H,4-7H2,1-3H3,(H,14,15)
InChIKey
RYNAGLMDQOVNMK-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-cyclopropylpyrrolidin-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

226.16812 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.17540 153.4
[M+Na]+ 249.15734 159.6
[M-H]- 225.16084 157.7
[M+NH4]+ 244.20194 166.4
[M+K]+ 265.13128 156.2
[M+H-H2O]+ 209.16538 147.1
[M+HCOO]- 271.16632 171.5
[M+CH3COO]- 285.18197 191.1
[M+Na-2H]- 247.14279 155.3
[M]+ 226.16757 152.7
[M]- 226.16867 152.7
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