CID 249470

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

Structural Information

Molecular Formula
C11H10O2
SMILES
C1C2C(C2C(=O)O)C3=CC=CC=C31
InChI
InChI=1S/C11H10O2/c12-11(13)10-8-5-6-3-1-2-4-7(6)9(8)10/h1-4,8-10H,5H2,(H,12,13)
InChIKey
PPNDVQGPAPLJNH-UHFFFAOYSA-N
Compound name
1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

174.06808 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.07536 134.1
[M+Na]+ 197.05730 145.4
[M-H]- 173.06080 139.5
[M+NH4]+ 192.10190 153.0
[M+K]+ 213.03124 140.7
[M+H-H2O]+ 157.06534 129.6
[M+HCOO]- 219.06628 155.0
[M+CH3COO]- 233.08193 148.0
[M+Na-2H]- 195.04275 140.0
[M]+ 174.06753 137.1
[M]- 174.06863 137.1
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

patents stripe