CID 3135969

296264-94-3

Structural Information

Molecular Formula
C9H17NO
SMILES
CC(C)(CN1CCCC1)C=O
InChI
InChI=1S/C9H17NO/c1-9(2,8-11)7-10-5-3-4-6-10/h8H,3-7H2,1-2H3
InChIKey
HZOLQLXOHPPKRA-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3-pyrrolidin-1-ylpropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

155.13101 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.13829 136.8
[M+Na]+ 178.12023 145.9
[M+NH4]+ 173.16483 144.7
[M+K]+ 194.09417 142.3
[M-H]- 154.12373 136.6
[M+Na-2H]- 176.10568 140.6
[M]+ 155.13046 137.8
[M]- 155.13156 137.8
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