CID 10066633

4-methyl-4-propylazetidin-2-one

Structural Information

Molecular Formula
C7H13NO
SMILES
CCCC1(CC(=O)N1)C
InChI
InChI=1S/C7H13NO/c1-3-4-7(2)5-6(9)8-7/h3-5H2,1-2H3,(H,8,9)
InChIKey
BODONWZDNUQEBV-UHFFFAOYSA-N
Compound name
4-methyl-4-propylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

127.09972 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 127.1
[M+Na]+ 150.088938 134.0
[M-H]- 126.092444 128.4
[M+NH4]+ 145.133543 143.1
[M+K]+ 166.062878 135.4
[M+H-H2O]+ 110.096980 118.2
[M+HCOO]- 172.097921 146.6
[M+CH3COO]- 186.113571 173.6
[M+Na-2H]- 148.074386 133.3
[M]+ 127.09917142 134.6
[M]- 127.10026858 134.6
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