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

121
Patents

112.08881 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.096086 122.6
[M+Na]+ 135.078028 129.9
[M-H]- 111.081534 126.0
[M+NH4]+ 130.122633 147.2
[M+K]+ 151.051968 129.1
[M+H-H2O]+ 95.086070 118.0
[M+HCOO]- 157.087011 146.0
[M+CH3COO]- 171.102661 168.5
[M+Na-2H]- 133.063476 127.0
[M]+ 112.08826142 120.6
[M]- 112.08935858 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