CID 13399521

(2-chlorocyclopropyl)methanol

Structural Information

Molecular Formula
C4H7ClO
SMILES
C1C(C1Cl)CO
InChI
InChI=1S/C4H7ClO/c5-4-1-3(4)2-6/h3-4,6H,1-2H2
InChIKey
FXUQPSPDDULYHZ-UHFFFAOYSA-N
Compound name
(2-chlorocyclopropyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

106.01854 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.02582 114.6
[M+Na]+ 129.00776 125.5
[M-H]- 105.01126 118.3
[M+NH4]+ 124.05236 133.2
[M+K]+ 144.98170 122.2
[M+H-H2O]+ 89.015800 110.7
[M+HCOO]- 151.01674 133.7
[M+CH3COO]- 165.03239 168.0
[M+Na-2H]- 126.99321 121.9
[M]+ 106.01799 117.8
[M]- 106.01909 117.8
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