CID 21857793

Tert-butyl pyrazolidine-1-carboxylate

Structural Information

Molecular Formula
C8H16N2O2
SMILES
CC(C)(C)OC(=O)N1CCCN1
InChI
InChI=1S/C8H16N2O2/c1-8(2,3)12-7(11)10-6-4-5-9-10/h9H,4-6H2,1-3H3
InChIKey
MYFMFEXSUJUPEC-UHFFFAOYSA-N
Compound name
tert-butyl pyrazolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

214
Patents

172.12119 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.128466 141.3
[M+Na]+ 195.110408 147.1
[M-H]- 171.113914 140.3
[M+NH4]+ 190.155013 160.0
[M+K]+ 211.084348 146.5
[M+H-H2O]+ 155.118450 135.0
[M+HCOO]- 217.119391 157.9
[M+CH3COO]- 231.135041 174.1
[M+Na-2H]- 193.095856 144.6
[M]+ 172.12064142 138.6
[M]- 172.12173858 138.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe