CID 56971730

905274-02-4

Structural Information

Molecular Formula
C12H20N2O3
SMILES
CC(C)(C)OC(=O)N1C/C(=C/N(C)C)/C(=O)C1
InChI
InChI=1S/C12H20N2O3/c1-12(2,3)17-11(16)14-7-9(6-13(4)5)10(15)8-14/h6H,7-8H2,1-5H3/b9-6-
InChIKey
NICVZJAVRBPUME-TWGQIWQCSA-N
Compound name
tert-butyl (3Z)-3-(dimethylaminomethylidene)-4-oxopyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

240.1474 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.15468 155.9
[M+Na]+ 263.13662 162.2
[M-H]- 239.14012 159.5
[M+NH4]+ 258.18122 174.8
[M+K]+ 279.11056 162.2
[M+H-H2O]+ 223.14466 150.0
[M+HCOO]- 285.14560 176.3
[M+CH3COO]- 299.16125 196.4
[M+Na-2H]- 261.12207 156.6
[M]+ 240.14685 157.3
[M]- 240.14795 157.3
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