CID 44828599

922139-40-0

Structural Information

Molecular Formula
C10H20N2O3
SMILES
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1CO)N
InChI
InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-5-7(11)4-8(12)6-13/h7-8,13H,4-6,11H2,1-3H3/t7-,8-/m0/s1
InChIKey
OCLZOKUGIXLYJZ-YUMQZZPRSA-N
Compound name
tert-butyl (2S,4S)-4-amino-2-(hydroxymethyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

216.1474 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.15468 151.6
[M+Na]+ 239.13662 157.4
[M-H]- 215.14012 151.9
[M+NH4]+ 234.18122 169.8
[M+K]+ 255.11056 156.5
[M+H-H2O]+ 199.14466 146.0
[M+HCOO]- 261.14560 169.5
[M+CH3COO]- 275.16125 186.3
[M+Na-2H]- 237.12207 152.2
[M]+ 216.14685 149.5
[M]- 216.14795 149.5
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