CID 6285032

Brn 5523252

Structural Information

Molecular Formula
C9H13N3O
SMILES
CN(C)/C=C(\C#N)/N1CCCC1=O
InChI
InChI=1S/C9H13N3O/c1-11(2)7-8(6-10)12-5-3-4-9(12)13/h7H,3-5H2,1-2H3/b8-7+
InChIKey
GKLNBRBUHCCLOC-BQYQJAHWSA-N
Compound name
(E)-3-(dimethylamino)-2-(2-oxopyrrolidin-1-yl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

179.10587 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.11315 140.1
[M+Na]+ 202.09509 147.8
[M-H]- 178.09859 142.7
[M+NH4]+ 197.13969 158.5
[M+K]+ 218.06903 146.5
[M+H-H2O]+ 162.10313 126.4
[M+HCOO]- 224.10407 158.7
[M+CH3COO]- 238.11972 197.7
[M+Na-2H]- 200.08054 141.7
[M]+ 179.10532 133.5
[M]- 179.10642 133.5
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