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

44
Patents

141.11537 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 132.3
[M+Na]+ 164.10459 138.7
[M-H]- 140.10809 134.0
[M+NH4]+ 159.14919 154.2
[M+K]+ 180.07853 138.0
[M+H-H2O]+ 124.11263 126.8
[M+HCOO]- 186.11357 152.5
[M+CH3COO]- 200.12922 173.3
[M+Na-2H]- 162.09004 137.3
[M]+ 141.11482 130.4
[M]- 141.11592 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