CID 57419399

Tert-butyl imidazolidine-1-carboxylate

Structural Information

Molecular Formula
C8H16N2O2
SMILES
CC(C)(C)OC(=O)N1CCNC1
InChI
InChI=1S/C8H16N2O2/c1-8(2,3)12-7(11)10-5-4-9-6-10/h9H,4-6H2,1-3H3
InChIKey
UROHOOQSDVUQGF-UHFFFAOYSA-N
Compound name
tert-butyl imidazolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

172.12119 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.12847 141.3
[M+Na]+ 195.11041 147.1
[M-H]- 171.11391 140.3
[M+NH4]+ 190.15501 160.0
[M+K]+ 211.08435 146.5
[M+H-H2O]+ 155.11845 135.0
[M+HCOO]- 217.11939 157.9
[M+CH3COO]- 231.13504 174.1
[M+Na-2H]- 193.09586 144.6
[M]+ 172.12064 138.6
[M]- 172.12174 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

No literature data available for this compound.

Patent stripe

patents stripe