CID 11788837

431079-81-1

Structural Information

Molecular Formula
C10H15NO3
SMILES
CC(C)(C)OC(=O)N1CCC(=C1)C=O
InChI
InChI=1S/C10H15NO3/c1-10(2,3)14-9(13)11-5-4-8(6-11)7-12/h6-7H,4-5H2,1-3H3
InChIKey
DVBLBDAWCCNBLU-UHFFFAOYSA-N
Compound name
tert-butyl 4-formyl-2,3-dihydropyrrole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

197.1052 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.11248 143.9
[M+Na]+ 220.09442 151.6
[M-H]- 196.09792 146.3
[M+NH4]+ 215.13902 164.0
[M+K]+ 236.06836 151.1
[M+H-H2O]+ 180.10246 138.4
[M+HCOO]- 242.10340 164.7
[M+CH3COO]- 256.11905 181.9
[M+Na-2H]- 218.07987 147.3
[M]+ 197.10465 145.9
[M]- 197.10575 145.9
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