CID 3057976

74332-85-7

Structural Information

Molecular Formula
C12H23NO
SMILES
CC(C)C(=O)C(C)(C)CN1CCCC1
InChI
InChI=1S/C12H23NO/c1-10(2)11(14)12(3,4)9-13-7-5-6-8-13/h10H,5-9H2,1-4H3
InChIKey
NUXLHTUDXCZONN-UHFFFAOYSA-N
Compound name
2,2,4-trimethyl-1-pyrrolidin-1-ylpentan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.17796 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.185236 150.4
[M+Na]+ 220.167178 154.7
[M-H]- 196.170684 151.7
[M+NH4]+ 215.211783 170.1
[M+K]+ 236.141118 153.9
[M+H-H2O]+ 180.175220 144.5
[M+HCOO]- 242.176161 167.3
[M+CH3COO]- 256.191811 187.0
[M+Na-2H]- 218.152626 151.0
[M]+ 197.17741142 148.8
[M]- 197.17850858 148.8
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