CID 141999

4-tert-butylcyclohex-2-en-1-ol

Structural Information

Molecular Formula
C10H18O
SMILES
CC(C)(C)C1CCC(C=C1)O
InChI
InChI=1S/C10H18O/c1-10(2,3)8-4-6-9(11)7-5-8/h4,6,8-9,11H,5,7H2,1-3H3
InChIKey
NGXNAIZTJAUMGV-UHFFFAOYSA-N
Compound name
4-tert-butylcyclohex-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

154.13577 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.143046 135.3
[M+Na]+ 177.124988 141.4
[M-H]- 153.128494 137.4
[M+NH4]+ 172.169593 156.2
[M+K]+ 193.098928 139.8
[M+H-H2O]+ 137.133030 130.9
[M+HCOO]- 199.133971 153.9
[M+CH3COO]- 213.149621 175.2
[M+Na-2H]- 175.110436 140.6
[M]+ 154.13522142 132.2
[M]- 154.13631858 132.2
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