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]+ 111.08044 120.4
[M+Na]+ 133.06238 128.7
[M-H]- 109.06589 124.2
[M+NH4]+ 128.10699 146.9
[M+K]+ 149.03632 127.9
[M+H-H2O]+ 93.070426 116.4
[M+HCOO]- 155.07137 145.3
[M+CH3COO]- 169.08702 166.6
[M+Na-2H]- 131.04783 127.6
[M]+ 110.07262 119.8
[M]- 110.07371 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