CID 23335962

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

Structural Information

Molecular Formula
C7H12O
SMILES
CC(C)C1(CC1)C=O
InChI
InChI=1S/C7H12O/c1-6(2)7(5-8)3-4-7/h5-6H,3-4H2,1-2H3
InChIKey
QDLAZJMWZPNSCW-UHFFFAOYSA-N
Compound name
1-propan-2-ylcyclopropane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

112.08881 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.09609 123.7
[M+Na]+ 135.07803 133.2
[M-H]- 111.08153 128.9
[M+NH4]+ 130.12263 143.6
[M+K]+ 151.05197 132.9
[M+H-H2O]+ 95.086070 119.5
[M+HCOO]- 157.08701 146.7
[M+CH3COO]- 171.10266 173.9
[M+Na-2H]- 133.06348 130.8
[M]+ 112.08826 127.1
[M]- 112.08936 127.1
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