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]+ 210.123696 150.0
[M+Na]+ 232.105638 158.8
[M-H]- 208.109144 151.6
[M+NH4]+ 227.150243 167.1
[M+K]+ 248.079578 157.5
[M+H-H2O]+ 192.113680 137.2
[M+HCOO]- 254.114621 167.1
[M+CH3COO]- 268.130271 199.2
[M+Na-2H]- 230.091086 151.6
[M]+ 209.11587142 144.5
[M]- 209.11696858 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