CID 115011168

1-(propan-2-yloxy)cyclopropane-1-carbaldehyde

Structural Information

Molecular Formula
C7H12O2
SMILES
CC(C)OC1(CC1)C=O
InChI
InChI=1S/C7H12O2/c1-6(2)9-7(5-8)3-4-7/h5-6H,3-4H2,1-2H3
InChIKey
HSSAOHXJQSJYOB-UHFFFAOYSA-N
Compound name
1-propan-2-yloxycyclopropane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

128.08372 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.090996 127.7
[M+Na]+ 151.072938 137.2
[M-H]- 127.076444 132.8
[M+NH4]+ 146.117543 146.9
[M+K]+ 167.046878 137.0
[M+H-H2O]+ 111.080980 123.3
[M+HCOO]- 173.081921 150.8
[M+CH3COO]- 187.097571 175.8
[M+Na-2H]- 149.058386 134.6
[M]+ 128.08317142 132.4
[M]- 128.08426858 132.4
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