CID 14870032

(cyclohept-2-en-1-yl)methanol

Structural Information

Molecular Formula
C8H14O
SMILES
C1CCC(C=CC1)CO
InChI
InChI=1S/C8H14O/c9-7-8-5-3-1-2-4-6-8/h3,5,8-9H,1-2,4,6-7H2
InChIKey
KCJCCCUUJHKEGY-UHFFFAOYSA-N
Compound name
cyclohept-2-en-1-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

126.10446 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.111736 121.8
[M+Na]+ 149.093678 125.1
[M-H]- 125.097184 124.6
[M+NH4]+ 144.138283 141.6
[M+K]+ 165.067618 128.0
[M+H-H2O]+ 109.101720 117.7
[M+HCOO]- 171.102661 141.8
[M+CH3COO]- 185.118311 171.0
[M+Na-2H]- 147.079126 127.9
[M]+ 126.10391142 115.1
[M]- 126.10500858 115.1
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