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]+ 127.11174 121.8
[M+Na]+ 149.09368 125.1
[M-H]- 125.09718 124.6
[M+NH4]+ 144.13828 141.6
[M+K]+ 165.06762 128.0
[M+H-H2O]+ 109.10172 117.7
[M+HCOO]- 171.10266 141.8
[M+CH3COO]- 185.11831 171.0
[M+Na-2H]- 147.07913 127.9
[M]+ 126.10391 115.1
[M]- 126.10501 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