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

64
Patents

112.08881 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.096086 123.7
[M+Na]+ 135.078028 133.2
[M-H]- 111.081534 128.9
[M+NH4]+ 130.122633 143.6
[M+K]+ 151.051968 132.9
[M+H-H2O]+ 95.086070 119.5
[M+HCOO]- 157.087011 146.7
[M+CH3COO]- 171.102661 173.9
[M+Na-2H]- 133.063476 130.8
[M]+ 112.08826142 127.1
[M]- 112.08935858 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