CID 3135969

2,2-dimethyl-3-(pyrrolidin-1-yl)propanal

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

115
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 136.9
[M+Na]+ 178.12023 142.9
[M-H]- 154.12373 138.4
[M+NH4]+ 173.16483 158.3
[M+K]+ 194.09417 142.0
[M+H-H2O]+ 138.12827 131.2
[M+HCOO]- 200.12921 156.8
[M+CH3COO]- 214.14486 176.3
[M+Na-2H]- 176.10568 141.4
[M]+ 155.13046 135.4
[M]- 155.13156 135.4
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