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

1
Patents

152.08372 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.090996 148.1
[M+Na]+ 175.072938 153.1
[M-H]- 151.076444 153.3
[M+NH4]+ 170.117543 151.3
[M+K]+ 191.046878 158.0
[M+H-H2O]+ 135.080980 136.0
[M+HCOO]- 197.081921 159.2
[M+CH3COO]- 211.097571 206.2
[M+Na-2H]- 173.058386 154.1
[M]+ 152.08317142 172.7
[M]- 152.08426858 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

patents stripe