CID 20677776

945217-60-7

Structural Information

Molecular Formula
C9H19N3O2
SMILES
CC(C)(C)OC(=O)N1C[C@H]([C@H](C1)N)N
InChI
InChI=1S/C9H19N3O2/c1-9(2,3)14-8(13)12-4-6(10)7(11)5-12/h6-7H,4-5,10-11H2,1-3H3/t6-,7+
InChIKey
MOFRNGKMXMQTQR-KNVOCYPGSA-N
Compound name
tert-butyl (3R,4S)-3,4-diaminopyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

201.14772 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.15500 147.6
[M+Na]+ 224.13694 153.5
[M-H]- 200.14044 149.0
[M+NH4]+ 219.18154 166.6
[M+K]+ 240.11088 152.8
[M+H-H2O]+ 184.14498 141.6
[M+HCOO]- 246.14592 167.5
[M+CH3COO]- 260.16157 188.2
[M+Na-2H]- 222.12239 148.5
[M]+ 201.14717 143.8
[M]- 201.14827 143.8
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