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

114
Patents

155.13101 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.138286 136.9
[M+Na]+ 178.120228 142.9
[M-H]- 154.123734 138.4
[M+NH4]+ 173.164833 158.3
[M+K]+ 194.094168 142.0
[M+H-H2O]+ 138.128270 131.2
[M+HCOO]- 200.129211 156.8
[M+CH3COO]- 214.144861 176.3
[M+Na-2H]- 176.105676 141.4
[M]+ 155.13046142 135.4
[M]- 155.13155858 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