CID 20220669

3-(cyclopropylmethoxy)propanal

Structural Information

Molecular Formula
C7H12O2
SMILES
C1CC1COCCC=O
InChI
InChI=1S/C7H12O2/c8-4-1-5-9-6-7-2-3-7/h4,7H,1-3,5-6H2
InChIKey
UWQTVLZBPSVBRV-UHFFFAOYSA-N
Compound name
3-(cyclopropylmethoxy)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

128.08372 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.090996 127.6
[M+Na]+ 151.072938 136.7
[M-H]- 127.076444 132.3
[M+NH4]+ 146.117543 145.0
[M+K]+ 167.046878 135.3
[M+H-H2O]+ 111.080980 121.8
[M+HCOO]- 173.081921 152.1
[M+CH3COO]- 187.097571 175.5
[M+Na-2H]- 149.058386 134.7
[M]+ 128.08317142 132.6
[M]- 128.08426858 132.6
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