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

52
Patents

172.12119 Da
Monoisotopic Mass

0.6
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

No literature data available for this compound.

Patent stripe

patents stripe