CID 58478391

Tert-butyl 3-amino-4-cyano-2,5-dihydro-1h-pyrrole-1-carboxylate

Structural Information

Molecular Formula
C10H15N3O2
SMILES
CC(C)(C)OC(=O)N1CC(=C(C1)N)C#N
InChI
InChI=1S/C10H15N3O2/c1-10(2,3)15-9(14)13-5-7(4-11)8(12)6-13/h5-6,12H2,1-3H3
InChIKey
ZUWAEUIARMWGSF-UHFFFAOYSA-N
Compound name
tert-butyl 3-amino-4-cyano-2,5-dihydropyrrole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

209.11642 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.12370 150.0
[M+Na]+ 232.10564 158.8
[M-H]- 208.10914 151.6
[M+NH4]+ 227.15024 167.1
[M+K]+ 248.07958 157.5
[M+H-H2O]+ 192.11368 137.2
[M+HCOO]- 254.11462 167.1
[M+CH3COO]- 268.13027 199.2
[M+Na-2H]- 230.09109 151.6
[M]+ 209.11587 144.5
[M]- 209.11697 144.5
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