CID 13808288

22428-85-9

Structural Information

Molecular Formula
C7H12O
SMILES
C=C1CCC(CC1)O
InChI
InChI=1S/C7H12O/c1-6-2-4-7(8)5-3-6/h7-8H,1-5H2
InChIKey
OXOGGHNLQCZDPK-UHFFFAOYSA-N
Compound name
4-methylidenecyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

112.08881 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.096086 122.5
[M+Na]+ 135.078028 128.4
[M-H]- 111.081534 124.4
[M+NH4]+ 130.122633 144.6
[M+K]+ 151.051968 126.8
[M+H-H2O]+ 95.086070 118.0
[M+HCOO]- 157.087011 142.3
[M+CH3COO]- 171.102661 165.9
[M+Na-2H]- 133.063476 127.7
[M]+ 112.08826142 116.6
[M]- 112.08935858 116.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe