CID 9990760

Tert-butyl (2s)-2-carbamoyl-2,3-dihydropyrrole-1-carboxylate

Structural Information

Molecular Formula
C10H16N2O3
SMILES
CC(C)(C)OC(=O)N1C=CC[C@H]1C(=O)N
InChI
InChI=1S/C10H16N2O3/c1-10(2,3)15-9(14)12-6-4-5-7(12)8(11)13/h4,6-7H,5H2,1-3H3,(H2,11,13)/t7-/m0/s1
InChIKey
ZDKSDALJIXEHOP-ZETCQYMHSA-N
Compound name
tert-butyl (2S)-2-carbamoyl-2,3-dihydropyrrole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

212.11609 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.12337 148.4
[M+Na]+ 235.10531 154.8
[M-H]- 211.10881 150.3
[M+NH4]+ 230.14991 167.1
[M+K]+ 251.07925 154.4
[M+H-H2O]+ 195.11335 142.5
[M+HCOO]- 257.11429 168.5
[M+CH3COO]- 271.12994 187.1
[M+Na-2H]- 233.09076 150.0
[M]+ 212.11554 147.9
[M]- 212.11664 147.9
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