CID 17920260

3-methylcyclopentane-1-carbaldehyde

Structural Information

Molecular Formula
C7H12O
SMILES
CC1CCC(C1)C=O
InChI
InChI=1S/C7H12O/c1-6-2-3-7(4-6)5-8/h5-7H,2-4H2,1H3
InChIKey
CFABTXHHYMKPEQ-UHFFFAOYSA-N
Compound name
3-methylcyclopentane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

112.08881 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.09609 122.6
[M+Na]+ 135.07803 129.9
[M-H]- 111.08153 126.0
[M+NH4]+ 130.12263 147.2
[M+K]+ 151.05197 129.1
[M+H-H2O]+ 95.086070 118.0
[M+HCOO]- 157.08701 146.0
[M+CH3COO]- 171.10266 168.5
[M+Na-2H]- 133.06348 127.0
[M]+ 112.08826 120.6
[M]- 112.08936 120.6
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