CID 90449873

Tert-butyl 3-(chloromethyl)-2,5-dihydro-1h-pyrrole-1-carboxylate

Structural Information

Molecular Formula
C10H16ClNO2
SMILES
CC(C)(C)OC(=O)N1CC=C(C1)CCl
InChI
InChI=1S/C10H16ClNO2/c1-10(2,3)14-9(13)12-5-4-8(6-11)7-12/h4H,5-7H2,1-3H3
InChIKey
QWMWDHXSKMTVGV-UHFFFAOYSA-N
Compound name
tert-butyl 3-(chloromethyl)-2,5-dihydropyrrole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

217.08696 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.09424 149.2
[M+Na]+ 240.07618 157.4
[M-H]- 216.07968 151.5
[M+NH4]+ 235.12078 169.5
[M+K]+ 256.05012 154.9
[M+H-H2O]+ 200.08422 144.2
[M+HCOO]- 262.08516 164.9
[M+CH3COO]- 276.10081 184.7
[M+Na-2H]- 238.06163 152.0
[M]+ 217.08641 152.3
[M]- 217.08751 152.3
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.