CID 87664346

1-methylcyclopent-3-ene-1-carbaldehyde

Structural Information

Molecular Formula
C7H10O
SMILES
CC1(CC=CC1)C=O
InChI
InChI=1S/C7H10O/c1-7(6-8)4-2-3-5-7/h2-3,6H,4-5H2,1H3
InChIKey
SOPPFQAFDHEIMO-UHFFFAOYSA-N
Compound name
1-methylcyclopent-3-ene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

110.073166 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.080442 120.4
[M+Na]+ 133.062384 128.7
[M-H]- 109.065890 124.2
[M+NH4]+ 128.106989 146.9
[M+K]+ 149.036324 127.9
[M+H-H2O]+ 93.070426 116.4
[M+HCOO]- 155.071367 145.3
[M+CH3COO]- 169.087017 166.6
[M+Na-2H]- 131.047832 127.6
[M]+ 110.07261742 119.8
[M]- 110.07371458 119.8
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