CID 4101437

1,1-bis(hydroxymethyl)cyclopropane

Structural Information

Molecular Formula
C5H10O2
SMILES
C1CC1(CO)CO
InChI
InChI=1S/C5H10O2/c6-3-5(4-7)1-2-5/h6-7H,1-4H2
InChIKey
YAINYZJQSQEGND-UHFFFAOYSA-N
Compound name
[1-(hydroxymethyl)cyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1423
Patents

102.06808 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.07536 119.4
[M+Na]+ 125.05730 128.9
[M-H]- 101.06080 122.0
[M+NH4]+ 120.10190 138.3
[M+K]+ 141.03124 127.5
[M+H-H2O]+ 85.065340 115.7
[M+HCOO]- 147.06628 141.0
[M+CH3COO]- 161.08193 165.0
[M+Na-2H]- 123.04275 127.8
[M]+ 102.06753 121.2
[M]- 102.06863 121.2
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