CID 98737

38675-79-5

Structural Information

Molecular Formula
C14H18O
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)C2CC2
InChI
InChI=1S/C14H18O/c1-14(2,3)12-8-6-11(7-9-12)13(15)10-4-5-10/h6-10H,4-5H2,1-3H3
InChIKey
XVDLXILLBPXUPJ-UHFFFAOYSA-N
Compound name
(4-tert-butylphenyl)-cyclopropylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

45
Patents

202.13577 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.14305 143.5
[M+Na]+ 225.12499 152.2
[M-H]- 201.12849 151.2
[M+NH4]+ 220.16959 158.3
[M+K]+ 241.09893 149.3
[M+H-H2O]+ 185.13303 137.4
[M+HCOO]- 247.13397 165.0
[M+CH3COO]- 261.14962 190.7
[M+Na-2H]- 223.11044 148.7
[M]+ 202.13522 146.4
[M]- 202.13632 146.4
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