CID 6440362

60129-33-1

Structural Information

Molecular Formula
C6H8O2
SMILES
C1CC1/C=C/C(=O)O
InChI
InChI=1S/C6H8O2/c7-6(8)4-3-5-1-2-5/h3-5H,1-2H2,(H,7,8)/b4-3+
InChIKey
OTZXZTJDUFZCNC-ONEGZZNKSA-N
Compound name
(E)-3-cyclopropylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

213
Patents

112.05243 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.05971 121.4
[M+Na]+ 135.04165 130.7
[M-H]- 111.04515 125.0
[M+NH4]+ 130.08625 138.7
[M+K]+ 151.01559 128.3
[M+H-H2O]+ 95.049690 116.3
[M+HCOO]- 157.05063 144.0
[M+CH3COO]- 171.06628 169.2
[M+Na-2H]- 133.02710 127.5
[M]+ 112.05188 122.9
[M]- 112.05298 122.9
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