CID 137942213

3-cyclopropylbicyclo[1.1.1]pentane-1-carboxylic acid

Structural Information

Molecular Formula
C9H12O2
SMILES
C1CC1C23CC(C2)(C3)C(=O)O
InChI
InChI=1S/C9H12O2/c10-7(11)9-3-8(4-9,5-9)6-1-2-6/h6H,1-5H2,(H,10,11)
InChIKey
SOVWIFICKXMWEP-UHFFFAOYSA-N
Compound name
3-cyclopropylbicyclo[1.1.1]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.08372 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.09100 148.1
[M+Na]+ 175.07294 153.1
[M-H]- 151.07644 153.3
[M+NH4]+ 170.11754 151.3
[M+K]+ 191.04688 158.0
[M+H-H2O]+ 135.08098 136.0
[M+HCOO]- 197.08192 159.2
[M+CH3COO]- 211.09757 206.2
[M+Na-2H]- 173.05839 154.1
[M]+ 152.08317 172.7
[M]- 152.08427 172.7
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

No patent data available for this compound.