CID 56973578

Tert-butyl 3-nitropyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C9H16N2O4
SMILES
CC(C)(C)OC(=O)N1CCC(C1)[N+](=O)[O-]
InChI
InChI=1S/C9H16N2O4/c1-9(2,3)15-8(12)10-5-4-7(6-10)11(13)14/h7H,4-6H2,1-3H3
InChIKey
QDLAHUFDHRJWOE-UHFFFAOYSA-N
Compound name
tert-butyl 3-nitropyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

216.11101 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.11829 148.2
[M+Na]+ 239.10023 153.8
[M-H]- 215.10373 150.5
[M+NH4]+ 234.14483 166.6
[M+K]+ 255.07417 150.1
[M+H-H2O]+ 199.10827 147.4
[M+HCOO]- 261.10921 168.7
[M+CH3COO]- 275.12486 179.1
[M+Na-2H]- 237.08568 153.3
[M]+ 216.11046 146.3
[M]- 216.11156 146.3
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