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]+ 186.112476 137.7
[M+Na]+ 208.094418 146.8
[M-H]- 184.097924 140.6
[M+NH4]+ 203.139023 160.6
[M+K]+ 224.068358 147.0
[M+H-H2O]+ 168.102460 132.9
[M+HCOO]- 230.103401 160.2
[M+CH3COO]- 244.119051 180.9
[M+Na-2H]- 206.079866 141.6
[M]+ 185.10465142 141.4
[M]- 185.10574858 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.