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 (3S,4R)-3,4-diaminopyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

201.14772 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.154996 147.6
[M+Na]+ 224.136938 153.5
[M-H]- 200.140444 149.0
[M+NH4]+ 219.181543 166.6
[M+K]+ 240.110878 152.8
[M+H-H2O]+ 184.144980 141.6
[M+HCOO]- 246.145921 167.5
[M+CH3COO]- 260.161571 188.2
[M+Na-2H]- 222.122386 148.5
[M]+ 201.14717142 143.8
[M]- 201.14826858 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