CID 13464501

2-(1-methylcyclopropyl)acetaldehyde

Structural Information

Molecular Formula
C6H10O
SMILES
CC1(CC1)CC=O
InChI
InChI=1S/C6H10O/c1-6(2-3-6)4-5-7/h5H,2-4H2,1H3
InChIKey
YFOXKGAEDFHNSR-UHFFFAOYSA-N
Compound name
2-(1-methylcyclopropyl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

98.073166 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.080442 120.0
[M+Na]+ 121.062384 130.1
[M-H]- 97.065890 125.2
[M+NH4]+ 116.106989 140.4
[M+K]+ 137.036324 129.6
[M+H-H2O]+ 81.070426 115.8
[M+HCOO]- 143.071367 144.2
[M+CH3COO]- 157.087017 170.3
[M+Na-2H]- 119.047832 128.7
[M]+ 98.07261742 123.5
[M]- 98.07371458 123.5
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