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
2
Annotation Hits

0
References

1
Patents

176.12012 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.127396 137.6
[M+Na]+ 199.109338 146.4
[M-H]- 175.112844 144.2
[M+NH4]+ 194.153943 154.3
[M+K]+ 215.083278 144.3
[M+H-H2O]+ 159.117380 132.7
[M+HCOO]- 221.118321 158.7
[M+CH3COO]- 235.133971 181.6
[M+Na-2H]- 197.094786 146.1
[M]+ 176.11957142 139.3
[M]- 176.12066858 139.3
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