CID 155897007

Tert-butyl 2-(aminomethyl)-4h-thieno[2,3-c]pyrrole-5(6h)-carboxylate

Structural Information

Molecular Formula
C12H18N2O2S
SMILES
CC(C)(C)OC(=O)N1CC2=C(C1)SC(=C2)CN
InChI
InChI=1S/C12H18N2O2S/c1-12(2,3)16-11(15)14-6-8-4-9(5-13)17-10(8)7-14/h4H,5-7,13H2,1-3H3
InChIKey
PZECNZUKZUNFIH-UHFFFAOYSA-N
Compound name
tert-butyl 2-(aminomethyl)-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

254.1089 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.11618 161.6
[M+Na]+ 277.09812 169.7
[M-H]- 253.10162 165.0
[M+NH4]+ 272.14272 182.7
[M+K]+ 293.07206 167.6
[M+H-H2O]+ 237.10616 156.8
[M+HCOO]- 299.10710 177.2
[M+CH3COO]- 313.12275 193.7
[M+Na-2H]- 275.08357 160.7
[M]+ 254.10835 164.6
[M]- 254.10945 164.6
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

patents stripe