CID 17973047

4-(1-methylcyclopropyl)phenol

Structural Information

Molecular Formula
C10H12O
SMILES
CC1(CC1)C2=CC=C(C=C2)O
InChI
InChI=1S/C10H12O/c1-10(6-7-10)8-2-4-9(11)5-3-8/h2-5,11H,6-7H2,1H3
InChIKey
URBFAECGYIAXDC-UHFFFAOYSA-N
Compound name
4-(1-methylcyclopropyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

148.08882 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.09610 128.6
[M+Na]+ 171.07804 138.8
[M-H]- 147.08154 135.7
[M+NH4]+ 166.12264 146.7
[M+K]+ 187.05198 136.6
[M+H-H2O]+ 131.08608 123.7
[M+HCOO]- 193.08702 151.9
[M+CH3COO]- 207.10267 176.6
[M+Na-2H]- 169.06349 136.9
[M]+ 148.08827 130.5
[M]- 148.08937 130.5
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