CID 556567

1335-14-4

Structural Information

Molecular Formula
C10H16O
SMILES
CC(C)C1=CC=C(CC1)CO
InChI
InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,5,8,11H,4,6-7H2,1-2H3
InChIKey
HBKLKBUNCSHWKO-UHFFFAOYSA-N
Compound name
(4-propan-2-ylcyclohexa-1,3-dien-1-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

152.12012 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.12740 133.8
[M+Na]+ 175.10934 145.8
[M+NH4]+ 170.15394 142.9
[M+K]+ 191.08328 139.4
[M-H]- 151.11284 135.9
[M+Na-2H]- 173.09479 139.9
[M]+ 152.11957 136.1
[M]- 152.12067 136.1
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