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 140.1
[M+Na]+ 211.07294 151.7
[M-H]- 187.07644 145.6
[M+NH4]+ 206.11754 160.3
[M+K]+ 227.04688 147.5
[M+H-H2O]+ 171.08098 136.2
[M+HCOO]- 233.08192 160.2
[M+CH3COO]- 247.09757 153.8
[M+Na-2H]- 209.05839 146.3
[M]+ 188.08317 143.8
[M]- 188.08427 143.8
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.