CID 13707476

1-propylcyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C7H12O2
SMILES
CCCC1(CC1)C(=O)O
InChI
InChI=1S/C7H12O2/c1-2-3-7(4-5-7)6(8)9/h2-5H2,1H3,(H,8,9)
InChIKey
XNYKYSLUVNHCPY-UHFFFAOYSA-N
Compound name
1-propylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

128.08372 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.090996 127.1
[M+Na]+ 151.072938 136.2
[M-H]- 127.076444 130.8
[M+NH4]+ 146.117543 145.6
[M+K]+ 167.046878 135.1
[M+H-H2O]+ 111.080980 123.0
[M+HCOO]- 173.081921 148.8
[M+CH3COO]- 187.097571 173.2
[M+Na-2H]- 149.058386 133.7
[M]+ 128.08317142 130.1
[M]- 128.08426858 130.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe