CID 3018080

71172-46-8

Structural Information

Molecular Formula
C12H16O
SMILES
CC1(CC1)C(C)(C2=CC=CC=C2)O
InChI
InChI=1S/C12H16O/c1-11(8-9-11)12(2,13)10-6-4-3-5-7-10/h3-7,13H,8-9H2,1-2H3
InChIKey
JKVXNQHAQDPGRQ-UHFFFAOYSA-N
Compound name
1-(1-methylcyclopropyl)-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.12012 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.12740 143.9
[M+Na]+ 199.10934 157.8
[M+NH4]+ 194.15394 154.9
[M+K]+ 215.08328 150.9
[M-H]- 175.11284 153.9
[M+Na-2H]- 197.09479 155.7
[M]+ 176.11957 150.2
[M]- 176.12067 150.2
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

No patent data available for this compound.