CID 13969930

Methyl 2-methyl-1-(propan-2-yl)-4,5-dihydro-1h-pyrrole-3-carboxylate

Structural Information

Molecular Formula
C10H17NO2
SMILES
CC1=C(CCN1C(C)C)C(=O)OC
InChI
InChI=1S/C10H17NO2/c1-7(2)11-6-5-9(8(11)3)10(12)13-4/h7H,5-6H2,1-4H3
InChIKey
BEHXBZVNQAYCKW-UHFFFAOYSA-N
Compound name
methyl 5-methyl-1-propan-2-yl-2,3-dihydropyrrole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.12593 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.13321 141.4
[M+Na]+ 206.11515 149.0
[M-H]- 182.11865 143.9
[M+NH4]+ 201.15975 162.2
[M+K]+ 222.08909 148.6
[M+H-H2O]+ 166.12319 135.6
[M+HCOO]- 228.12413 162.3
[M+CH3COO]- 242.13978 183.9
[M+Na-2H]- 204.10060 142.0
[M]+ 183.12538 143.1
[M]- 183.12648 143.1
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.