CID 9942725

Seletracetam

Structural Information

Molecular Formula
C10H14F2N2O2
SMILES
CC[C@@H](C(=O)N)N1C[C@@H](CC1=O)C=C(F)F
InChI
InChI=1S/C10H14F2N2O2/c1-2-7(10(13)16)14-5-6(3-8(11)12)4-9(14)15/h3,6-7H,2,4-5H2,1H3,(H2,13,16)/t6-,7+/m1/s1
InChIKey
ANWPENAPCIFDSZ-RQJHMYQMSA-N
Compound name
(2S)-2-[(4S)-4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]butanamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

21
References

1203
Patents

232.10234 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.10962 150.8
[M+Na]+ 255.09156 156.7
[M-H]- 231.09506 149.5
[M+NH4]+ 250.13616 168.4
[M+K]+ 271.06550 154.5
[M+H-H2O]+ 215.09960 142.7
[M+HCOO]- 277.10054 167.8
[M+CH3COO]- 291.11619 193.2
[M+Na-2H]- 253.07701 147.3
[M]+ 232.10179 144.8
[M]- 232.10289 144.8
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