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

4
Patents

185.1052 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.112476 141.5
[M+Na]+ 208.094418 148.8
[M-H]- 184.097924 142.6
[M+NH4]+ 203.139023 161.4
[M+K]+ 224.068358 148.3
[M+H-H2O]+ 168.102460 136.3
[M+HCOO]- 230.103401 160.8
[M+CH3COO]- 244.119051 177.2
[M+Na-2H]- 206.079866 144.9
[M]+ 185.10465142 141.9
[M]- 185.10574858 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

patents stripe