CID 155970431

2639426-43-8

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC(C)(C)OC(=O)N1CC=CC1(CO)COC
InChI
InChI=1S/C12H21NO4/c1-11(2,3)17-10(15)13-7-5-6-12(13,8-14)9-16-4/h5-6,14H,7-9H2,1-4H3
InChIKey
HXSFHYOULUQHLK-UHFFFAOYSA-N
Compound name
tert-butyl 5-(hydroxymethyl)-5-(methoxymethyl)-2H-pyrrole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.14706 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 156.2
[M+Na]+ 266.13628 163.8
[M+NH4]+ 261.18088 162.8
[M+K]+ 282.11022 160.7
[M-H]- 242.13978 153.8
[M+Na-2H]- 264.12173 159.4
[M]+ 243.14651 156.4
[M]- 243.14761 156.4
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.