CID 16101323

4-(2-methylpropyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C8H15NO
SMILES
CC(C)CC1CC(=O)NC1
InChI
InChI=1S/C8H15NO/c1-6(2)3-7-4-8(10)9-5-7/h6-7H,3-5H2,1-2H3,(H,9,10)
InChIKey
GUGXRXLTTHFKHC-UHFFFAOYSA-N
Compound name
4-(2-methylpropyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

234
Patents

141.11537 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.122646 132.9
[M+Na]+ 164.104588 139.1
[M-H]- 140.108094 133.3
[M+NH4]+ 159.149193 154.2
[M+K]+ 180.078528 137.5
[M+H-H2O]+ 124.112630 127.2
[M+HCOO]- 186.113571 152.1
[M+CH3COO]- 200.129221 172.2
[M+Na-2H]- 162.090036 134.8
[M]+ 141.11482142 129.2
[M]- 141.11591858 129.2
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