CID 59701136

858036-16-5

Structural Information

Molecular Formula
C9H10ClNO
SMILES
C1CC1(CO)C2=CN=C(C=C2)Cl
InChI
InChI=1S/C9H10ClNO/c10-8-2-1-7(5-11-8)9(6-12)3-4-9/h1-2,5,12H,3-4,6H2
InChIKey
BTAKPMQKLSAHFC-UHFFFAOYSA-N
Compound name
[1-(6-chloro-3-pyridinyl)cyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

183.04509 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.052366 135.8
[M+Na]+ 206.034308 146.8
[M-H]- 182.037814 140.9
[M+NH4]+ 201.078913 151.8
[M+K]+ 222.008248 142.7
[M+H-H2O]+ 166.042350 130.4
[M+HCOO]- 228.043291 153.7
[M+CH3COO]- 242.058941 179.9
[M+Na-2H]- 204.019756 143.7
[M]+ 183.04454142 139.3
[M]- 183.04563858 139.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe