CID 154809637

2551119-95-8

Structural Information

Molecular Formula
C10H16BrNO2
SMILES
CC(C)(C)OC(=O)N1CC=CC1CBr
InChI
InChI=1S/C10H16BrNO2/c1-10(2,3)14-9(13)12-6-4-5-8(12)7-11/h4-5,8H,6-7H2,1-3H3
InChIKey
XONJMZIBVGCMIR-UHFFFAOYSA-N
Compound name
tert-butyl 2-(bromomethyl)-2,5-dihydropyrrole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.03644 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.04372 155.3
[M+Na]+ 284.02566 166.2
[M-H]- 260.02916 160.3
[M+NH4]+ 279.07026 176.6
[M+K]+ 299.99960 156.4
[M+H-H2O]+ 244.03370 155.5
[M+HCOO]- 306.03464 173.4
[M+CH3COO]- 320.05029 190.8
[M+Na-2H]- 282.01111 159.5
[M]+ 261.03589 175.0
[M]- 261.03699 175.0
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.