CID 130130349

Tert-butyl 3-hydroxy-2,3-dihydro-1h-pyrrole-1-carboxylate

Structural Information

Molecular Formula
C9H15NO3
SMILES
CC(C)(C)OC(=O)N1CC(C=C1)O
InChI
InChI=1S/C9H15NO3/c1-9(2,3)13-8(12)10-5-4-7(11)6-10/h4-5,7,11H,6H2,1-3H3
InChIKey
MBCGPMXBWVLHIG-UHFFFAOYSA-N
Compound name
tert-butyl 3-hydroxy-2,3-dihydropyrrole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.1052 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.11248 141.5
[M+Na]+ 208.09442 148.8
[M-H]- 184.09792 142.6
[M+NH4]+ 203.13902 161.4
[M+K]+ 224.06836 148.3
[M+H-H2O]+ 168.10246 136.3
[M+HCOO]- 230.10340 160.8
[M+CH3COO]- 244.11905 177.2
[M+Na-2H]- 206.07987 144.9
[M]+ 185.10465 141.9
[M]- 185.10575 141.9
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

No patent data available for this compound.