CID 138987540

2649071-05-4

Structural Information

Molecular Formula
C9H15NO3
SMILES
CC1(C(CC(=N1)OC)C(=O)OC)C
InChI
InChI=1S/C9H15NO3/c1-9(2)6(8(11)13-4)5-7(10-9)12-3/h6H,5H2,1-4H3
InChIKey
PZYMXHVDEKCZGW-UHFFFAOYSA-N
Compound name
methyl 5-methoxy-2,2-dimethyl-3,4-dihydropyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.1052 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.11248 137.7
[M+Na]+ 208.09442 146.8
[M-H]- 184.09792 140.6
[M+NH4]+ 203.13902 160.6
[M+K]+ 224.06836 147.0
[M+H-H2O]+ 168.10246 132.9
[M+HCOO]- 230.10340 160.2
[M+CH3COO]- 244.11905 180.9
[M+Na-2H]- 206.07987 141.6
[M]+ 185.10465 141.4
[M]- 185.10575 141.4
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.