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

16
Patents

128.08372 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 127.6
[M+Na]+ 151.07294 136.7
[M-H]- 127.07644 132.3
[M+NH4]+ 146.11754 145.0
[M+K]+ 167.04688 135.3
[M+H-H2O]+ 111.08098 121.8
[M+HCOO]- 173.08192 152.1
[M+CH3COO]- 187.09757 175.5
[M+Na-2H]- 149.05839 134.7
[M]+ 128.08317 132.6
[M]- 128.08427 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