CID 15350951

1-(2-ethylhexyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C12H23NO
SMILES
CCCCC(CC)CN1CCCC1=O
InChI
InChI=1S/C12H23NO/c1-3-5-7-11(4-2)10-13-9-6-8-12(13)14/h11H,3-10H2,1-2H3
InChIKey
ACDNBLAZDSHCDN-UHFFFAOYSA-N
Compound name
1-(2-ethylhexyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

197.17796 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.185236 150.4
[M+Na]+ 220.167178 155.3
[M-H]- 196.170684 151.5
[M+NH4]+ 215.211783 170.3
[M+K]+ 236.141118 153.7
[M+H-H2O]+ 180.175220 143.8
[M+HCOO]- 242.176161 169.9
[M+CH3COO]- 256.191811 187.0
[M+Na-2H]- 218.152626 150.7
[M]+ 197.17741142 150.2
[M]- 197.17850858 150.2
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