CID 543241

4-(cyclopropylmethoxy)benzaldehyde

Structural Information

Molecular Formula
C11H12O2
SMILES
C1CC1COC2=CC=C(C=C2)C=O
InChI
InChI=1S/C11H12O2/c12-7-9-3-5-11(6-4-9)13-8-10-1-2-10/h3-7,10H,1-2,8H2
InChIKey
PVQVSKYXCMWDFN-UHFFFAOYSA-N
Compound name
4-(cyclopropylmethoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

176.08372 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.090996 136.0
[M+Na]+ 199.072938 145.6
[M-H]- 175.076444 143.7
[M+NH4]+ 194.117543 151.5
[M+K]+ 215.046878 142.9
[M+H-H2O]+ 159.080980 129.3
[M+HCOO]- 221.081921 161.0
[M+CH3COO]- 235.097571 183.5
[M+Na-2H]- 197.058386 143.0
[M]+ 176.08317142 140.2
[M]- 176.08426858 140.2
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