CID 73813

1-methylcycloheptene

Structural Information

Molecular Formula
C8H14
SMILES
CC1=CCCCCC1
InChI
InChI=1S/C8H14/c1-8-6-4-2-3-5-7-8/h6H,2-5,7H2,1H3
InChIKey
MREBNFRVGNTYOV-UHFFFAOYSA-N
Compound name
1-methylcycloheptene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1161
Patents

110.10955 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.116826 117.5
[M+Na]+ 133.098768 121.2
[M-H]- 109.102274 121.6
[M+NH4]+ 128.143373 138.7
[M+K]+ 149.072708 124.4
[M+H-H2O]+ 93.106810 113.5
[M+HCOO]- 155.107751 138.7
[M+CH3COO]- 169.123401 171.8
[M+Na-2H]- 131.084216 124.3
[M]+ 110.10900142 111.2
[M]- 110.11009858 111.2
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

No patent data available for this compound.