CID 15887890

42082-92-8

Structural Information

Molecular Formula
C4H8O2
SMILES
C1CC1(CO)O
InChI
InChI=1S/C4H8O2/c5-3-4(6)1-2-4/h5-6H,1-3H2
InChIKey
NAQUXQVIOQVIKV-UHFFFAOYSA-N
Compound name
1-(hydroxymethyl)cyclopropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

247
Patents

88.05243 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 89.059706 115.2
[M+Na]+ 111.04165 125.1
[M-H]- 87.045154 118.0
[M+NH4]+ 106.08625 134.7
[M+K]+ 127.01559 124.0
[M+H-H2O]+ 71.049690 111.7
[M+HCOO]- 133.05063 137.2
[M+CH3COO]- 147.06628 162.1
[M+Na-2H]- 109.02710 124.1
[M]+ 88.051881 116.6
[M]- 88.052979 116.6
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