CID 15069970

128739-89-9

Structural Information

Molecular Formula
C10H20N2O3
SMILES
CC(C)(C)OC(=O)N[C@H]1CNC[C@H]1OC
InChI
InChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12-7-5-11-6-8(7)14-4/h7-8,11H,5-6H2,1-4H3,(H,12,13)/t7-,8+/m0/s1
InChIKey
PIGDOXPNNMFBNA-JGVFFNPUSA-N
Compound name
tert-butyl N-[(3S,4R)-4-methoxypyrrolidin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

216.1474 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.15468 151.6
[M+Na]+ 239.13662 156.4
[M-H]- 215.14012 152.0
[M+NH4]+ 234.18122 169.8
[M+K]+ 255.11056 155.8
[M+H-H2O]+ 199.14466 145.6
[M+HCOO]- 261.14560 170.1
[M+CH3COO]- 275.16125 185.6
[M+Na-2H]- 237.12207 153.9
[M]+ 216.14685 150.1
[M]- 216.14795 150.1
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