CID 178199915

Rac-3-[(1r,2s)-2-methylcyclopropyl]propanal

Structural Information

Molecular Formula
C7H12O
SMILES
C[C@H]1C[C@H]1CCC=O
InChI
InChI=1S/C7H12O/c1-6-5-7(6)3-2-4-8/h4,6-7H,2-3,5H2,1H3/t6-,7+/m0/s1
InChIKey
MARPTDMKXFVSTR-NKWVEPMBSA-N
Compound name
3-[(1R,2S)-2-methylcyclopropyl]propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

112.08881 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.096086 123.0
[M+Na]+ 135.078028 133.0
[M-H]- 111.081534 128.1
[M+NH4]+ 130.122633 141.4
[M+K]+ 151.051968 131.2
[M+H-H2O]+ 95.086070 117.7
[M+HCOO]- 157.087011 147.2
[M+CH3COO]- 171.102661 174.6
[M+Na-2H]- 133.063476 129.6
[M]+ 112.08826142 126.9
[M]- 112.08935858 126.9
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

No patent data available for this compound.