CID 22951486

643759-58-4

Structural Information

Molecular Formula
C10H17NO2
SMILES
CC1=CCN(C1)C(=O)OC(C)(C)C
InChI
InChI=1S/C10H17NO2/c1-8-5-6-11(7-8)9(12)13-10(2,3)4/h5H,6-7H2,1-4H3
InChIKey
SEZAXFMJUXBDBU-UHFFFAOYSA-N
Compound name
tert-butyl 3-methyl-2,5-dihydropyrrole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

183.12593 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.13321 142.3
[M+Na]+ 206.11515 149.8
[M-H]- 182.11865 144.7
[M+NH4]+ 201.15975 163.2
[M+K]+ 222.08909 149.4
[M+H-H2O]+ 166.12319 136.9
[M+HCOO]- 228.12413 162.6
[M+CH3COO]- 242.13978 180.8
[M+Na-2H]- 204.10060 145.6
[M]+ 183.12538 143.6
[M]- 183.12648 143.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe