CID 22889103

(1-methoxycyclopropyl)methanol

Structural Information

Molecular Formula
C5H10O2
SMILES
COC1(CC1)CO
InChI
InChI=1S/C5H10O2/c1-7-5(4-6)2-3-5/h6H,2-4H2,1H3
InChIKey
NNJYWHBHHWGUFF-UHFFFAOYSA-N
Compound name
(1-methoxycyclopropyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

102.06808 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.075356 120.0
[M+Na]+ 125.057298 129.9
[M-H]- 101.060804 124.0
[M+NH4]+ 120.101903 139.7
[M+K]+ 141.031238 129.5
[M+H-H2O]+ 85.065340 116.1
[M+HCOO]- 147.066281 143.1
[M+CH3COO]- 161.081931 167.5
[M+Na-2H]- 123.042746 128.8
[M]+ 102.06753142 123.6
[M]- 102.06862858 123.6
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