CID 119031442

1-methyl-1h,1ah,6h,6ah-cyclopropa[a]indene-1-carboxylic acid

Structural Information

Molecular Formula
C12H12O2
SMILES
CC1(C2C1C3=CC=CC=C3C2)C(=O)O
InChI
InChI=1S/C12H12O2/c1-12(11(13)14)9-6-7-4-2-3-5-8(7)10(9)12/h2-5,9-10H,6H2,1H3,(H,13,14)
InChIKey
GLJUOVMZDLCEIZ-UHFFFAOYSA-N
Compound name
1-methyl-6,6a-dihydro-1aH-cyclopropa[a]indene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.08372 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.09100 142.4
[M+Na]+ 211.07294 155.8
[M+NH4]+ 206.11754 153.9
[M+K]+ 227.04688 150.8
[M-H]- 187.07644 151.1
[M+Na-2H]- 209.05839 150.2
[M]+ 188.08317 148.1
[M]- 188.08427 148.1
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.