CID 53867504

2-methyl-2-(pyrrolidin-1-yl)propanal

Structural Information

Molecular Formula
C8H15NO
SMILES
CC(C)(C=O)N1CCCC1
InChI
InChI=1S/C8H15NO/c1-8(2,7-10)9-5-3-4-6-9/h7H,3-6H2,1-2H3
InChIKey
HATZOIDGLAKFMI-UHFFFAOYSA-N
Compound name
2-methyl-2-pyrrolidin-1-ylpropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

141.11537 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.122646 132.3
[M+Na]+ 164.104588 138.7
[M-H]- 140.108094 134.0
[M+NH4]+ 159.149193 154.2
[M+K]+ 180.078528 138.0
[M+H-H2O]+ 124.112630 126.8
[M+HCOO]- 186.113571 152.5
[M+CH3COO]- 200.129221 173.3
[M+Na-2H]- 162.090036 137.3
[M]+ 141.11482142 130.4
[M]- 141.11591858 130.4
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