CID 105445782

Schembl18283418

Structural Information

Molecular Formula
C11H12O3
SMILES
C1CC1(CO)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C11H12O3/c12-7-11(5-6-11)9-3-1-8(2-4-9)10(13)14/h1-4,12H,5-7H2,(H,13,14)
InChIKey
MQSOFDDWARUPFC-UHFFFAOYSA-N
Compound name
4-[1-(hydroxymethyl)cyclopropyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

192.07864 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 138.6
[M+Na]+ 215.06786 147.8
[M-H]- 191.07136 144.1
[M+NH4]+ 210.11246 153.9
[M+K]+ 231.04180 145.0
[M+H-H2O]+ 175.07590 133.7
[M+HCOO]- 237.07684 159.6
[M+CH3COO]- 251.09249 180.9
[M+Na-2H]- 213.05331 144.7
[M]+ 192.07809 140.7
[M]- 192.07919 140.7
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